id	sid	tid	token	lemma	pos
bibechana-58405	1	1	bibechana	bibechana	PROPN
bibechana-58405	1	2	vol	vol	NOUN
bibechana-58405	1	3	.	.	PROPN
bibechana-58405	2	1	21	21	NUM
bibechana-58405	2	2	,	,	PUNCT
bibechana-58405	2	3	no	no	INTJ
bibechana-58405	2	4	.	.	NOUN
bibechana-58405	2	5	1	1	NUM
bibechana-58405	2	6	,	,	PUNCT
bibechana-58405	2	7	april	april	PROPN
bibechana-58405	2	8	2024	2024	NUM
bibechana-58405	2	9	,	,	PUNCT
bibechana-58405	2	10	12–22	12–22	NUM
bibechana-58405	2	11	issn	issn	NOUN
bibechana-58405	2	12	2091	2091	NUM
bibechana-58405	2	13	-	-	SYM
bibechana-58405	2	14	0762	0762	NUM
bibechana-58405	2	15	(	(	PUNCT
bibechana-58405	2	16	print	print	NOUN
bibechana-58405	2	17	)	)	PUNCT
bibechana-58405	2	18	,	,	PUNCT
bibechana-58405	2	19	2382	2382	NUM
bibechana-58405	2	20	-	-	SYM
bibechana-58405	2	21	5340	5340	NUM
bibechana-58405	2	22	(	(	PUNCT
bibechana-58405	2	23	online	online	ADJ
bibechana-58405	2	24	)	)	PUNCT
bibechana-58405	2	25	journal	journal	NOUN
bibechana-58405	2	26	homepage	homepage	NOUN
bibechana-58405	2	27	:	:	PUNCT
bibechana-58405	2	28	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-58405	2	29	publisher	publisher	NOUN
bibechana-58405	2	30	:	:	PUNCT
bibechana-58405	2	31	dept	dept	PROPN
bibechana-58405	2	32	.	.	PROPN
bibechana-58405	2	33	of	of	ADP
bibechana-58405	2	34	phys	phy	NOUN
bibechana-58405	2	35	.	.	PUNCT
bibechana-58405	2	36	,	,	PUNCT
bibechana-58405	3	1	mahendra	mahendra	PROPN
bibechana-58405	3	2	morang	morang	PROPN
bibechana-58405	3	3	a.	a.	PROPN
bibechana-58405	3	4	m.	m.	PROPN
bibechana-58405	3	5	campus	campus	PROPN
bibechana-58405	3	6	(	(	PUNCT
bibechana-58405	3	7	tribhuvan	tribhuvan	NOUN
bibechana-58405	3	8	university)biratnagar	university)biratnagar	PRON
bibechana-58405	3	9	lattice	lattice	VERB
bibechana-58405	3	10	thermal	thermal	ADJ
bibechana-58405	3	11	conductivity	conductivity	NOUN
bibechana-58405	3	12	in	in	ADP
bibechana-58405	3	13	half	half	ADJ
bibechana-58405	3	14	-	-	PUNCT
bibechana-58405	3	15	heusler	heusler	NOUN
bibechana-58405	3	16	model	model	NOUN
bibechana-58405	3	17	compounds	compound	VERB
bibechana-58405	3	18	xnisn	xnisn	PROPN
bibechana-58405	3	19	(	(	PUNCT
bibechana-58405	3	20	x	x	X
bibechana-58405	3	21	=	=	SYM
bibechana-58405	3	22	ti	ti	NOUN
bibechana-58405	3	23	,	,	PUNCT
bibechana-58405	3	24	zr	zr	PROPN
bibechana-58405	3	25	,	,	PUNCT
bibechana-58405	3	26	hf	hf	NOUN
bibechana-58405	3	27	)	)	PUNCT
bibechana-58405	3	28	using	use	VERB
bibechana-58405	3	29	slack	slack	NOUN
bibechana-58405	3	30	’s	’s	PART
bibechana-58405	3	31	model	model	PROPN
bibechana-58405	3	32	prakash	prakash	PROPN
bibechana-58405	3	33	khatri1,2	khatri1,2	PROPN
bibechana-58405	3	34	,	,	PUNCT
bibechana-58405	3	35	n.	n.	PROPN
bibechana-58405	3	36	p.	p.	NOUN
bibechana-58405	3	37	adhikari1,∗	adhikari1,∗	PROPN
bibechana-58405	4	1	1central	1central	PROPN
bibechana-58405	4	2	department	department	PROPN
bibechana-58405	4	3	of	of	ADP
bibechana-58405	4	4	physics	physics	PROPN
bibechana-58405	4	5	,	,	PUNCT
bibechana-58405	4	6	institute	institute	PROPN
bibechana-58405	4	7	of	of	ADP
bibechana-58405	4	8	science	science	NOUN
bibechana-58405	4	9	and	and	CCONJ
bibechana-58405	4	10	technology	technology	NOUN
bibechana-58405	4	11	,	,	PUNCT
bibechana-58405	4	12	tribhuvan	tribhuvan	PROPN
bibechana-58405	4	13	university	university	PROPN
bibechana-58405	4	14	,	,	PUNCT
bibechana-58405	4	15	kirtipur	kirtipur	NOUN
bibechana-58405	4	16	,	,	PUNCT
bibechana-58405	4	17	kathmandu	kathmandu	NOUN
bibechana-58405	4	18	,	,	PUNCT
bibechana-58405	4	19	nepal	nepal	NOUN
bibechana-58405	4	20	2department	2department	NUM
bibechana-58405	4	21	of	of	ADP
bibechana-58405	4	22	physics	physics	PROPN
bibechana-58405	4	23	,	,	PUNCT
bibechana-58405	4	24	siddhanath	siddhanath	NOUN
bibechana-58405	4	25	science	science	NOUN
bibechana-58405	4	26	campus	campus	PROPN
bibechana-58405	4	27	,	,	PUNCT
bibechana-58405	4	28	mahendranagar	mahendranagar	NOUN
bibechana-58405	4	29	,	,	PUNCT
bibechana-58405	4	30	tribhuvan	tribhuvan	PROPN
bibechana-58405	4	31	university	university	PROPN
bibechana-58405	4	32	,	,	PUNCT
bibechana-58405	4	33	nepal	nepal	ADJ
bibechana-58405	4	34	∗corresponding	∗corresponde	VERB
bibechana-58405	4	35	author	author	NOUN
bibechana-58405	4	36	.	.	PUNCT
bibechana-58405	5	1	email	email	NOUN
bibechana-58405	5	2	:	:	PUNCT
bibechana-58405	5	3	narayan.adhikari@cdp.tu.edu.np	narayan.adhikari@cdp.tu.edu.np	ADJ
bibechana-58405	5	4	abstract	abstract	NOUN
bibechana-58405	5	5	reducing	reduce	VERB
bibechana-58405	5	6	lattice	lattice	NOUN
bibechana-58405	5	7	thermal	thermal	ADJ
bibechana-58405	5	8	conductivity	conductivity	NOUN
bibechana-58405	5	9	(	(	PUNCT
bibechana-58405	5	10	κl	κl	NOUN
bibechana-58405	5	11	)	)	PUNCT
bibechana-58405	5	12	that	that	PRON
bibechana-58405	5	13	reflects	reflect	VERB
bibechana-58405	5	14	the	the	DET
bibechana-58405	5	15	material	material	NOUN
bibechana-58405	5	16	’s	’s	PART
bibechana-58405	5	17	heat	heat	NOUN
bibechana-58405	5	18	-	-	PUNCT
bibechana-58405	5	19	carrying	carry	VERB
bibechana-58405	5	20	capacity	capacity	NOUN
bibechana-58405	5	21	through	through	ADP
bibechana-58405	5	22	lattice	lattice	NOUN
bibechana-58405	5	23	phonon	phonon	NOUN
bibechana-58405	5	24	vibrations	vibration	NOUN
bibechana-58405	5	25	is	be	AUX
bibechana-58405	5	26	crucial	crucial	ADJ
bibechana-58405	5	27	for	for	ADP
bibechana-58405	5	28	optimizing	optimize	VERB
bibechana-58405	5	29	the	the	DET
bibechana-58405	5	30	figure	figure	NOUN
bibechana-58405	5	31	of	of	ADP
bibechana-58405	5	32	merit	merit	NOUN
bibechana-58405	5	33	(	(	PUNCT
bibechana-58405	5	34	zt	zt	PROPN
bibechana-58405	5	35	)	)	PUNCT
bibechana-58405	5	36	.	.	PUNCT
bibechana-58405	6	1	using	use	VERB
bibechana-58405	6	2	density	density	NOUN
bibechana-58405	6	3	functional	functional	ADJ
bibechana-58405	6	4	theory	theory	NOUN
bibechana-58405	6	5	(	(	PUNCT
bibechana-58405	6	6	dft	dft	NOUN
bibechana-58405	6	7	)	)	PUNCT
bibechana-58405	6	8	and	and	CCONJ
bibechana-58405	6	9	density	density	NOUN
bibechana-58405	6	10	functional	functional	ADJ
bibechana-58405	6	11	perturbation	perturbation	NOUN
bibechana-58405	6	12	theory	theory	NOUN
bibechana-58405	6	13	(	(	PUNCT
bibechana-58405	6	14	dfpt	dfpt	NOUN
bibechana-58405	6	15	)	)	PUNCT
bibechana-58405	6	16	,	,	PUNCT
bibechana-58405	6	17	present	present	ADJ
bibechana-58405	6	18	work	work	NOUN
bibechana-58405	6	19	considers	consider	VERB
bibechana-58405	6	20	the	the	DET
bibechana-58405	6	21	structural	structural	ADJ
bibechana-58405	6	22	,	,	PUNCT
bibechana-58405	6	23	electronic	electronic	ADJ
bibechana-58405	6	24	,	,	PUNCT
bibechana-58405	6	25	magnetic	magnetic	ADJ
bibechana-58405	6	26	,	,	PUNCT
bibechana-58405	6	27	and	and	CCONJ
bibechana-58405	6	28	phonon	phonon	NOUN
bibechana-58405	6	29	properties	property	NOUN
bibechana-58405	6	30	of	of	ADP
bibechana-58405	6	31	the	the	DET
bibechana-58405	6	32	xnisn	xnisn	PROPN
bibechana-58405	6	33	(	(	PUNCT
bibechana-58405	6	34	x	x	X
bibechana-58405	6	35	=	=	SYM
bibechana-58405	6	36	ti	ti	NOUN
bibechana-58405	6	37	,	,	PUNCT
bibechana-58405	6	38	zr	zr	PROPN
bibechana-58405	6	39	,	,	PUNCT
bibechana-58405	6	40	hf	hf	ADJ
bibechana-58405	6	41	)	)	PUNCT
bibechana-58405	6	42	half	half	NOUN
bibechana-58405	6	43	heusler	heusler	NOUN
bibechana-58405	6	44	(	(	PUNCT
bibechana-58405	6	45	hh	hh	NOUN
bibechana-58405	6	46	)	)	PUNCT
bibechana-58405	6	47	compounds	compound	NOUN
bibechana-58405	6	48	.	.	PUNCT
bibechana-58405	7	1	tinisn	tinisn	NOUN
bibechana-58405	7	2	,	,	PUNCT
bibechana-58405	7	3	zrnisn	zrnisn	PROPN
bibechana-58405	7	4	,	,	PUNCT
bibechana-58405	7	5	and	and	CCONJ
bibechana-58405	7	6	hfnisn	hfnisn	NOUN
bibechana-58405	7	7	are	be	AUX
bibechana-58405	7	8	identified	identify	VERB
bibechana-58405	7	9	as	as	ADP
bibechana-58405	7	10	semiconductors	semiconductor	NOUN
bibechana-58405	7	11	with	with	ADP
bibechana-58405	7	12	indirect	indirect	ADJ
bibechana-58405	7	13	band	band	NOUN
bibechana-58405	7	14	gaps	gap	NOUN
bibechana-58405	7	15	of	of	ADP
bibechana-58405	7	16	0.43	0.43	NUM
bibechana-58405	7	17	ev	ev	NOUN
bibechana-58405	7	18	,	,	PUNCT
bibechana-58405	7	19	0.47	0.47	NUM
bibechana-58405	7	20	ev	ev	NOUN
bibechana-58405	7	21	and	and	CCONJ
bibechana-58405	7	22	0.39	0.39	NUM
bibechana-58405	7	23	ev	ev	NOUN
bibechana-58405	7	24	,	,	PUNCT
bibechana-58405	7	25	respectively	respectively	ADV
bibechana-58405	7	26	,	,	PUNCT
bibechana-58405	7	27	exhibiting	exhibit	VERB
bibechana-58405	7	28	dynamical	dynamical	ADJ
bibechana-58405	7	29	stability	stability	NOUN
bibechana-58405	7	30	.	.	PUNCT
bibechana-58405	8	1	the	the	DET
bibechana-58405	8	2	temperaturedependent	temperaturedependent	NOUN
bibechana-58405	8	3	κl	κl	ADP
bibechana-58405	8	4	of	of	ADP
bibechana-58405	8	5	hh	hh	PROPN
bibechana-58405	8	6	xnisn	xnisn	PROPN
bibechana-58405	8	7	are	be	AUX
bibechana-58405	8	8	compared	compare	VERB
bibechana-58405	8	9	using	use	VERB
bibechana-58405	8	10	slack	slack	NOUN
bibechana-58405	8	11	’s	’s	PART
bibechana-58405	8	12	model	model	NOUN
bibechana-58405	8	13	with	with	ADP
bibechana-58405	8	14	two	two	NUM
bibechana-58405	8	15	approaches	approach	NOUN
bibechana-58405	8	16	for	for	ADP
bibechana-58405	8	17	analyzing	analyze	VERB
bibechana-58405	8	18	phonon	phonon	NOUN
bibechana-58405	8	19	velocity	velocity	NOUN
bibechana-58405	8	20	:	:	PUNCT
bibechana-58405	8	21	elastic	elastic	ADJ
bibechana-58405	8	22	constants	constant	NOUN
bibechana-58405	8	23	from	from	ADP
bibechana-58405	8	24	quasiharmonic	quasiharmonic	ADJ
bibechana-58405	8	25	approximation	approximation	NOUN
bibechana-58405	8	26	(	(	PUNCT
bibechana-58405	8	27	qha	qha	NOUN
bibechana-58405	8	28	)	)	PUNCT
bibechana-58405	8	29	as	as	SCONJ
bibechana-58405	8	30	implemented	implement	VERB
bibechana-58405	8	31	in	in	ADP
bibechana-58405	8	32	the	the	DET
bibechana-58405	8	33	thermo_pw	thermo_pw	PROPN
bibechana-58405	8	34	code	code	NOUN
bibechana-58405	8	35	and	and	CCONJ
bibechana-58405	8	36	slope	slope	NOUN
bibechana-58405	8	37	of	of	ADP
bibechana-58405	8	38	phonon	phonon	NOUN
bibechana-58405	8	39	bands	band	NOUN
bibechana-58405	8	40	based	base	VERB
bibechana-58405	8	41	on	on	ADP
bibechana-58405	8	42	dfpt	dfpt	NOUN
bibechana-58405	8	43	.	.	PUNCT
bibechana-58405	9	1	at	at	ADP
bibechana-58405	9	2	room	room	NOUN
bibechana-58405	9	3	temperature	temperature	NOUN
bibechana-58405	9	4	,	,	PUNCT
bibechana-58405	9	5	tinisn	tinisn	NOUN
bibechana-58405	9	6	,	,	PUNCT
bibechana-58405	9	7	zrnisn	zrnisn	NUM
bibechana-58405	9	8	and	and	CCONJ
bibechana-58405	9	9	hfnisn	hfnisn	PROPN
bibechana-58405	9	10	have	have	VERB
bibechana-58405	9	11	κl	κl	ADJ
bibechana-58405	9	12	values	value	NOUN
bibechana-58405	9	13	of	of	ADP
bibechana-58405	9	14	28.61	28.61	NUM
bibechana-58405	9	15	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	9	16	,	,	PUNCT
bibechana-58405	9	17	34.61	34.61	NUM
bibechana-58405	9	18	wm−1k−1	wm−1k−1	ADP
bibechana-58405	9	19	and	and	CCONJ
bibechana-58405	9	20	29.85	29.85	NUM
bibechana-58405	9	21	wm−1k−1	wm−1k−1	ADP
bibechana-58405	9	22	respectively	respectively	ADV
bibechana-58405	9	23	using	use	VERB
bibechana-58405	9	24	phonon	phonon	NOUN
bibechana-58405	9	25	velocity	velocity	NOUN
bibechana-58405	9	26	from	from	ADP
bibechana-58405	9	27	slopes	slope	NOUN
bibechana-58405	9	28	of	of	ADP
bibechana-58405	9	29	phonon	phonon	NOUN
bibechana-58405	9	30	bands	band	NOUN
bibechana-58405	9	31	based	base	VERB
bibechana-58405	9	32	on	on	ADP
bibechana-58405	9	33	dfpt	dfpt	NOUN
bibechana-58405	9	34	.	.	PUNCT
bibechana-58405	10	1	these	these	DET
bibechana-58405	10	2	values	value	NOUN
bibechana-58405	10	3	show	show	VERB
bibechana-58405	10	4	deviation	deviation	NOUN
bibechana-58405	10	5	of	of	ADP
bibechana-58405	10	6	1.48	1.48	NUM
bibechana-58405	10	7	%	%	NOUN
bibechana-58405	10	8	,	,	PUNCT
bibechana-58405	10	9	6.29	6.29	NUM
bibechana-58405	10	10	%	%	NOUN
bibechana-58405	10	11	,	,	PUNCT
bibechana-58405	10	12	and	and	CCONJ
bibechana-58405	10	13	5.82	5.82	NUM
bibechana-58405	10	14	%	%	NOUN
bibechana-58405	10	15	to	to	ADP
bibechana-58405	10	16	those	those	DET
bibechana-58405	10	17	κl	κl	ADJ
bibechana-58405	10	18	values	value	NOUN
bibechana-58405	10	19	29.01	29.01	NUM
bibechana-58405	10	20	wm−1k−1	wm−1k−1	PROPN
bibechana-58405	10	21	’	'	PUNCT
bibechana-58405	10	22	,	,	PUNCT
bibechana-58405	10	23	36.79	36.79	NUM
bibechana-58405	10	24	wm−1k−1	wm−1k−1	ADP
bibechana-58405	10	25	and	and	CCONJ
bibechana-58405	10	26	31.59	31.59	NUM
bibechana-58405	10	27	wm−1k−1	wm−1k−1	ADP
bibechana-58405	10	28	for	for	ADP
bibechana-58405	10	29	tinisn	tinisn	NOUN
bibechana-58405	10	30	,	,	PUNCT
bibechana-58405	10	31	zrnisn	zrnisn	NUM
bibechana-58405	10	32	and	and	CCONJ
bibechana-58405	10	33	hfnisn	hfnisn	VERB
bibechana-58405	10	34	respectively	respectively	ADV
bibechana-58405	10	35	using	use	VERB
bibechana-58405	10	36	qha	qha	NOUN
bibechana-58405	10	37	.	.	PUNCT
bibechana-58405	11	1	keywords	keyword	VERB
bibechana-58405	11	2	density	density	NOUN
bibechana-58405	11	3	functional	functional	ADJ
bibechana-58405	11	4	theory	theory	NOUN
bibechana-58405	11	5	,	,	PUNCT
bibechana-58405	11	6	lattice	lattice	VERB
bibechana-58405	11	7	thermal	thermal	ADJ
bibechana-58405	11	8	conductivity	conductivity	NOUN
bibechana-58405	11	9	,	,	PUNCT
bibechana-58405	11	10	slack	slack	NOUN
bibechana-58405	11	11	’s	’s	PART
bibechana-58405	11	12	model	model	NOUN
bibechana-58405	11	13	,	,	PUNCT
bibechana-58405	11	14	phonon	phonon	NOUN
bibechana-58405	11	15	bands	band	NOUN
bibechana-58405	11	16	.	.	PUNCT
bibechana-58405	12	1	article	article	NOUN
bibechana-58405	12	2	information	information	PROPN
bibechana-58405	12	3	manuscript	manuscript	PROPN
bibechana-58405	12	4	received	receive	VERB
bibechana-58405	12	5	:	:	PUNCT
bibechana-58405	12	6	september	september	PROPN
bibechana-58405	12	7	16	16	NUM
bibechana-58405	12	8	,	,	PUNCT
bibechana-58405	12	9	2023	2023	NUM
bibechana-58405	12	10	;	;	PUNCT
bibechana-58405	12	11	revised	revise	VERB
bibechana-58405	12	12	:	:	PUNCT
bibechana-58405	12	13	december	december	PROPN
bibechana-58405	12	14	5	5	NUM
bibechana-58405	12	15	,	,	PUNCT
bibechana-58405	12	16	2023	2023	NUM
bibechana-58405	12	17	;	;	PUNCT
bibechana-58405	12	18	accepted	accept	VERB
bibechana-58405	12	19	:	:	PUNCT
bibechana-58405	12	20	december	december	PROPN
bibechana-58405	12	21	16	16	NUM
bibechana-58405	12	22	,	,	PUNCT
bibechana-58405	12	23	2023	2023	NUM
bibechana-58405	12	24	doi	doi	X
bibechana-58405	12	25	https://doi.org/10.3126/bibechana.v21i1.58405	https://doi.org/10.3126/bibechana.v21i1.58405	PROPN
bibechana-58405	13	1	this	this	DET
bibechana-58405	13	2	work	work	NOUN
bibechana-58405	13	3	is	be	AUX
bibechana-58405	13	4	licensed	license	VERB
bibechana-58405	13	5	under	under	ADP
bibechana-58405	13	6	the	the	DET
bibechana-58405	13	7	creative	creative	ADJ
bibechana-58405	13	8	commons	common	NOUN
bibechana-58405	13	9	cc	cc	ADP
bibechana-58405	13	10	by	by	ADP
bibechana-58405	13	11	-	-	PUNCT
bibechana-58405	13	12	nc	nc	NOUN
bibechana-58405	13	13	license	license	NOUN
bibechana-58405	13	14	.	.	PUNCT
bibechana-58405	14	1	https://creativecommons	https://creativecommon	NOUN
bibechana-58405	14	2	.	.	PUNCT
bibechana-58405	14	3	org	org	ADJ
bibechana-58405	14	4	/	/	SYM
bibechana-58405	14	5	licenses	license	NOUN
bibechana-58405	14	6	/	/	SYM
bibechana-58405	14	7	by	by	ADP
bibechana-58405	14	8	-	-	PUNCT
bibechana-58405	14	9	nc/4.0/	nc/4.0/	NOUN
bibechana-58405	14	10	12	12	NUM
bibechana-58405	14	11	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-58405	14	12	narayan.adhikari@cdp.tu.edu.np	narayan.adhikari@cdp.tu.edu.np	NOUN
bibechana-58405	14	13	https://doi.org/10.3126/bibechana.v21i1.58405	https://doi.org/10.3126/bibechana.v21i1.58405	INTJ
bibechana-58405	14	14	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-58405	14	15	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-58405	14	16	prakash	prakash	PROPN
bibechana-58405	14	17	khatri	khatri	PROPN
bibechana-58405	14	18	and	and	CCONJ
bibechana-58405	14	19	n.	n.	PROPN
bibechana-58405	14	20	p.	p.	NOUN
bibechana-58405	14	21	adhikari/	adhikari/	NUM
bibechana-58405	14	22	bibechana	bibechana	NOUN
bibechana-58405	14	23	21	21	NUM
bibechana-58405	14	24	(	(	PUNCT
bibechana-58405	14	25	2024	2024	NUM
bibechana-58405	14	26	)	)	PUNCT
bibechana-58405	14	27	12	12	NUM
bibechana-58405	14	28	-	-	SYM
bibechana-58405	14	29	22	22	NUM
bibechana-58405	14	30	13	13	NUM
bibechana-58405	14	31	1	1	NUM
bibechana-58405	14	32	introduction	introduction	NOUN
bibechana-58405	14	33	the	the	DET
bibechana-58405	14	34	rising	rise	VERB
bibechana-58405	14	35	energy	energy	NOUN
bibechana-58405	14	36	demands	demand	NOUN
bibechana-58405	14	37	but	but	CCONJ
bibechana-58405	14	38	limited	limited	ADJ
bibechana-58405	14	39	fossil	fossil	NOUN
bibechana-58405	14	40	fuels	fuel	NOUN
bibechana-58405	14	41	have	have	AUX
bibechana-58405	14	42	led	lead	VERB
bibechana-58405	14	43	to	to	ADP
bibechana-58405	14	44	a	a	DET
bibechana-58405	14	45	worldwide	worldwide	ADJ
bibechana-58405	14	46	energy	energy	NOUN
bibechana-58405	14	47	crisis	crisis	NOUN
bibechana-58405	14	48	.	.	PUNCT
bibechana-58405	15	1	waste	waste	NOUN
bibechana-58405	15	2	heat	heat	NOUN
bibechana-58405	15	3	resulting	result	VERB
bibechana-58405	15	4	from	from	ADP
bibechana-58405	15	5	industrial	industrial	ADJ
bibechana-58405	15	6	processes	process	NOUN
bibechana-58405	15	7	,	,	PUNCT
bibechana-58405	15	8	residential	residential	ADJ
bibechana-58405	15	9	heating	heating	NOUN
bibechana-58405	15	10	and	and	CCONJ
bibechana-58405	15	11	vehicle	vehicle	NOUN
bibechana-58405	15	12	exhaust	exhaust	NOUN
bibechana-58405	15	13	affects	affect	VERB
bibechana-58405	15	14	the	the	DET
bibechana-58405	15	15	environment	environment	NOUN
bibechana-58405	15	16	.	.	PUNCT
bibechana-58405	16	1	the	the	DET
bibechana-58405	16	2	potential	potential	NOUN
bibechana-58405	16	3	of	of	ADP
bibechana-58405	16	4	thermoelectric	thermoelectric	ADJ
bibechana-58405	16	5	(	(	PUNCT
bibechana-58405	16	6	te	te	NOUN
bibechana-58405	16	7	)	)	PUNCT
bibechana-58405	16	8	materials	material	NOUN
bibechana-58405	16	9	to	to	PART
bibechana-58405	16	10	utilize	utilize	VERB
bibechana-58405	16	11	such	such	ADJ
bibechana-58405	16	12	waste	waste	NOUN
bibechana-58405	16	13	heat	heat	NOUN
bibechana-58405	16	14	energy	energy	NOUN
bibechana-58405	16	15	can	can	AUX
bibechana-58405	16	16	play	play	VERB
bibechana-58405	16	17	a	a	DET
bibechana-58405	16	18	vital	vital	ADJ
bibechana-58405	16	19	role	role	NOUN
bibechana-58405	16	20	on	on	ADP
bibechana-58405	16	21	the	the	DET
bibechana-58405	16	22	reduction	reduction	NOUN
bibechana-58405	16	23	of	of	ADP
bibechana-58405	16	24	fossil	fossil	NOUN
bibechana-58405	16	25	fuel	fuel	NOUN
bibechana-58405	16	26	usage	usage	NOUN
bibechana-58405	16	27	and	and	CCONJ
bibechana-58405	16	28	global	global	ADJ
bibechana-58405	16	29	greenhouse	greenhouse	NOUN
bibechana-58405	16	30	emissions	emission	NOUN
bibechana-58405	16	31	[	[	X
bibechana-58405	16	32	1–3	1–3	NOUN
bibechana-58405	16	33	]	]	X
bibechana-58405	16	34	.	.	PUNCT
bibechana-58405	17	1	the	the	DET
bibechana-58405	17	2	thermoelectric	thermoelectric	ADJ
bibechana-58405	17	3	figure	figure	NOUN
bibechana-58405	17	4	of	of	ADP
bibechana-58405	17	5	merit	merit	NOUN
bibechana-58405	17	6	(	(	PUNCT
bibechana-58405	17	7	zt	zt	PROPN
bibechana-58405	17	8	)	)	PUNCT
bibechana-58405	17	9	is	be	AUX
bibechana-58405	17	10	employed	employ	VERB
bibechana-58405	17	11	as	as	ADP
bibechana-58405	17	12	a	a	DET
bibechana-58405	17	13	means	means	NOUN
bibechana-58405	17	14	to	to	PART
bibechana-58405	17	15	quantify	quantify	VERB
bibechana-58405	17	16	the	the	DET
bibechana-58405	17	17	conversion	conversion	NOUN
bibechana-58405	17	18	efficiency	efficiency	NOUN
bibechana-58405	17	19	of	of	ADP
bibechana-58405	17	20	thermoelectric	thermoelectric	ADJ
bibechana-58405	17	21	materials	material	NOUN
bibechana-58405	17	22	.	.	PUNCT
bibechana-58405	18	1	it	it	PRON
bibechana-58405	18	2	is	be	AUX
bibechana-58405	18	3	expressed	express	VERB
bibechana-58405	18	4	as	as	ADP
bibechana-58405	18	5	[	[	X
bibechana-58405	18	6	4	4	NUM
bibechana-58405	18	7	]	]	PUNCT
bibechana-58405	18	8	,	,	PUNCT
bibechana-58405	18	9	zt	zt	PROPN
bibechana-58405	18	10	=	=	SYM
bibechana-58405	18	11	s2σt	s2σt	PUNCT
bibechana-58405	18	12	κ	κ	X
bibechana-58405	18	13	(	(	PUNCT
bibechana-58405	18	14	1	1	X
bibechana-58405	18	15	)	)	PUNCT
bibechana-58405	18	16	it	it	PRON
bibechana-58405	18	17	depends	depend	VERB
bibechana-58405	18	18	on	on	ADP
bibechana-58405	18	19	the	the	DET
bibechana-58405	18	20	material	material	NOUN
bibechana-58405	18	21	’s	’s	PART
bibechana-58405	18	22	transport	transport	NOUN
bibechana-58405	18	23	coefficients	coefficient	NOUN
bibechana-58405	18	24	,	,	PUNCT
bibechana-58405	18	25	including	include	VERB
bibechana-58405	18	26	the	the	DET
bibechana-58405	18	27	seebeck	seebeck	NOUN
bibechana-58405	18	28	coefficient	coefficient	NOUN
bibechana-58405	18	29	(	(	PUNCT
bibechana-58405	18	30	s	s	NOUN
bibechana-58405	18	31	)	)	PUNCT
bibechana-58405	18	32	,	,	PUNCT
bibechana-58405	18	33	electrical	electrical	ADJ
bibechana-58405	18	34	conductivity(σ	conductivity(σ	PROPN
bibechana-58405	18	35	)	)	PUNCT
bibechana-58405	18	36	,	,	PUNCT
bibechana-58405	18	37	absolute	absolute	ADJ
bibechana-58405	18	38	temperature	temperature	NOUN
bibechana-58405	18	39	(	(	PUNCT
bibechana-58405	18	40	t	t	NOUN
bibechana-58405	18	41	)	)	PUNCT
bibechana-58405	18	42	and	and	CCONJ
bibechana-58405	18	43	total	total	ADJ
bibechana-58405	18	44	thermal	thermal	ADJ
bibechana-58405	18	45	conductivity	conductivity	NOUN
bibechana-58405	18	46	κ	κ	PRON
bibechana-58405	18	47	=	=	PUNCT
bibechana-58405	18	48	κele	κele	PROPN
bibechana-58405	18	49	+	+	ADV
bibechana-58405	18	50	κl	κl	ADJ
bibechana-58405	18	51	,	,	PUNCT
bibechana-58405	18	52	which	which	PRON
bibechana-58405	18	53	is	be	AUX
bibechana-58405	18	54	the	the	DET
bibechana-58405	18	55	sum	sum	NOUN
bibechana-58405	18	56	of	of	ADP
bibechana-58405	18	57	electronic	electronic	ADJ
bibechana-58405	18	58	component	component	NOUN
bibechana-58405	18	59	(	(	PUNCT
bibechana-58405	18	60	κele	κele	PROPN
bibechana-58405	18	61	)	)	PUNCT
bibechana-58405	18	62	and	and	CCONJ
bibechana-58405	18	63	lattice	lattice	PROPN
bibechana-58405	18	64	component	component	NOUN
bibechana-58405	18	65	of	of	ADP
bibechana-58405	18	66	total	total	ADJ
bibechana-58405	18	67	thermal	thermal	ADJ
bibechana-58405	18	68	conductivity	conductivity	NOUN
bibechana-58405	18	69	(	(	PUNCT
bibechana-58405	18	70	κl	κl	ADJ
bibechana-58405	18	71	)	)	PUNCT
bibechana-58405	18	72	.	.	PUNCT
bibechana-58405	19	1	thermal	thermal	ADJ
bibechana-58405	19	2	conductivity	conductivity	NOUN
bibechana-58405	19	3	(	(	PUNCT
bibechana-58405	19	4	κ	κ	NOUN
bibechana-58405	19	5	)	)	PUNCT
bibechana-58405	19	6	is	be	AUX
bibechana-58405	19	7	crucial	crucial	ADJ
bibechana-58405	19	8	for	for	ADP
bibechana-58405	19	9	various	various	ADJ
bibechana-58405	19	10	technological	technological	ADJ
bibechana-58405	19	11	advancements	advancement	NOUN
bibechana-58405	19	12	,	,	PUNCT
bibechana-58405	19	13	including	include	VERB
bibechana-58405	19	14	thermoelectricity	thermoelectricity	NOUN
bibechana-58405	19	15	and	and	CCONJ
bibechana-58405	19	16	heat	heat	NOUN
bibechana-58405	19	17	management	management	NOUN
bibechana-58405	19	18	applications	application	NOUN
bibechana-58405	19	19	[	[	X
bibechana-58405	19	20	5,6	5,6	NUM
bibechana-58405	19	21	]	]	PUNCT
bibechana-58405	19	22	.	.	PUNCT
bibechana-58405	20	1	the	the	DET
bibechana-58405	20	2	transport	transport	NOUN
bibechana-58405	20	3	coefficients	coefficient	VERB
bibechana-58405	20	4	s	s	PROPN
bibechana-58405	20	5	,	,	PUNCT
bibechana-58405	20	6	σ	σ	PROPN
bibechana-58405	20	7	and	and	CCONJ
bibechana-58405	20	8	κele	κele	NOUN
bibechana-58405	20	9	are	be	AUX
bibechana-58405	20	10	interdependent	interdependent	ADJ
bibechana-58405	20	11	due	due	ADP
bibechana-58405	20	12	to	to	ADP
bibechana-58405	20	13	the	the	DET
bibechana-58405	20	14	influence	influence	NOUN
bibechana-58405	20	15	of	of	ADP
bibechana-58405	20	16	carrier	carrier	NOUN
bibechana-58405	20	17	concentration	concentration	NOUN
bibechana-58405	20	18	and	and	CCONJ
bibechana-58405	20	19	effective	effective	ADJ
bibechana-58405	20	20	mass	mass	NOUN
bibechana-58405	20	21	.	.	PUNCT
bibechana-58405	21	1	the	the	DET
bibechana-58405	21	2	interdependence	interdependence	NOUN
bibechana-58405	21	3	between	between	ADP
bibechana-58405	21	4	the	the	DET
bibechana-58405	21	5	kele	kele	PROPN
bibechana-58405	21	6	and	and	CCONJ
bibechana-58405	21	7	σ	σ	PROPN
bibechana-58405	21	8	is	be	AUX
bibechana-58405	21	9	established	establish	VERB
bibechana-58405	21	10	by	by	ADP
bibechana-58405	21	11	the	the	DET
bibechana-58405	21	12	wiedemann	wiedemann	ADJ
bibechana-58405	21	13	-	-	PUNCT
bibechana-58405	21	14	franz	franz	NOUN
bibechana-58405	21	15	law	law	NOUN
bibechana-58405	21	16	(	(	PUNCT
bibechana-58405	21	17	κele	κele	NOUN
bibechana-58405	21	18	=	=	SYM
bibechana-58405	21	19	σlt	σlt	PROPN
bibechana-58405	21	20	)	)	PUNCT
bibechana-58405	21	21	.	.	PUNCT
bibechana-58405	22	1	a	a	DET
bibechana-58405	22	2	zt	zt	PROPN
bibechana-58405	22	3	in	in	ADP
bibechana-58405	22	4	te	te	ADP
bibechana-58405	22	5	materials	material	NOUN
bibechana-58405	22	6	corresponds	correspond	VERB
bibechana-58405	22	7	to	to	ADP
bibechana-58405	22	8	a	a	DET
bibechana-58405	22	9	high	high	ADJ
bibechana-58405	22	10	power	power	NOUN
bibechana-58405	22	11	factor	factor	NOUN
bibechana-58405	22	12	(	(	PUNCT
bibechana-58405	22	13	pf	pf	NOUN
bibechana-58405	22	14	=	=	SYM
bibechana-58405	22	15	s2σ	s2σ	X
bibechana-58405	22	16	)	)	PUNCT
bibechana-58405	22	17	and	and	CCONJ
bibechana-58405	22	18	a	a	DET
bibechana-58405	22	19	low	low	ADJ
bibechana-58405	22	20	κl	κl	ADJ
bibechana-58405	22	21	.	.	PUNCT
bibechana-58405	22	22	strong	strong	ADJ
bibechana-58405	22	23	electron	electron	NOUN
bibechana-58405	22	24	-	-	PUNCT
bibechana-58405	22	25	phonon	phonon	NOUN
bibechana-58405	22	26	coupling	coupling	NOUN
bibechana-58405	22	27	in	in	ADP
bibechana-58405	22	28	bulk	bulk	ADJ
bibechana-58405	22	29	materials	material	NOUN
bibechana-58405	22	30	like	like	ADP
bibechana-58405	22	31	half	half	ADJ
bibechana-58405	22	32	-	-	PUNCT
bibechana-58405	22	33	heusler	heusler	NOUN
bibechana-58405	22	34	(	(	PUNCT
bibechana-58405	22	35	hh	hh	NOUN
bibechana-58405	22	36	)	)	PUNCT
bibechana-58405	22	37	alloys	alloy	NOUN
bibechana-58405	22	38	imposes	impose	VERB
bibechana-58405	22	39	restrictions	restriction	NOUN
bibechana-58405	22	40	on	on	ADP
bibechana-58405	22	41	simultaneous	simultaneous	ADJ
bibechana-58405	22	42	optimization	optimization	NOUN
bibechana-58405	22	43	of	of	ADP
bibechana-58405	22	44	pf	pf	NOUN
bibechana-58405	22	45	and	and	CCONJ
bibechana-58405	22	46	reduction	reduction	NOUN
bibechana-58405	22	47	of	of	ADP
bibechana-58405	22	48	k	k	PROPN
bibechana-58405	23	1	[	[	X
bibechana-58405	23	2	7,8	7,8	NUM
bibechana-58405	23	3	]	]	PUNCT
bibechana-58405	23	4	.	.	PUNCT
bibechana-58405	24	1	nowadays	nowadays	ADV
bibechana-58405	24	2	the	the	DET
bibechana-58405	24	3	primary	primary	ADJ
bibechana-58405	24	4	focus	focus	NOUN
bibechana-58405	24	5	is	be	AUX
bibechana-58405	24	6	on	on	ADP
bibechana-58405	24	7	reducing	reduce	VERB
bibechana-58405	24	8	κl	κl	ADV
bibechana-58405	24	9	since	since	SCONJ
bibechana-58405	24	10	efforts	effort	NOUN
bibechana-58405	24	11	to	to	PART
bibechana-58405	24	12	manipulate	manipulate	VERB
bibechana-58405	24	13	κele	κele	NOUN
bibechana-58405	24	14	are	be	AUX
bibechana-58405	24	15	ineffective	ineffective	ADJ
bibechana-58405	24	16	due	due	ADP
bibechana-58405	24	17	to	to	ADP
bibechana-58405	24	18	its	its	PRON
bibechana-58405	24	19	direct	direct	ADJ
bibechana-58405	24	20	correlation	correlation	NOUN
bibechana-58405	24	21	with	with	ADP
bibechana-58405	24	22	σ	σ	PROPN
bibechana-58405	24	23	.	.	PUNCT
bibechana-58405	25	1	it	it	PRON
bibechana-58405	25	2	is	be	AUX
bibechana-58405	25	3	worth	worth	ADJ
bibechana-58405	25	4	noting	note	VERB
bibechana-58405	25	5	that	that	SCONJ
bibechana-58405	25	6	the	the	DET
bibechana-58405	25	7	reduction	reduction	NOUN
bibechana-58405	25	8	of	of	ADP
bibechana-58405	25	9	κl	κl	ADJ
bibechana-58405	25	10	has	have	AUX
bibechana-58405	25	11	shown	show	VERB
bibechana-58405	25	12	limited	limited	ADJ
bibechana-58405	25	13	impact	impact	NOUN
bibechana-58405	25	14	on	on	ADP
bibechana-58405	25	15	the	the	DET
bibechana-58405	25	16	pf	pf	NOUN
bibechana-58405	25	17	.	.	PROPN
bibechana-58405	25	18	as	as	ADP
bibechana-58405	25	19	a	a	DET
bibechana-58405	25	20	result	result	NOUN
bibechana-58405	25	21	,	,	PUNCT
bibechana-58405	25	22	reducing	reduce	VERB
bibechana-58405	25	23	κl	κl	ADV
bibechana-58405	25	24	independently	independently	ADV
bibechana-58405	25	25	of	of	ADP
bibechana-58405	25	26	the	the	DET
bibechana-58405	25	27	parameters	parameter	NOUN
bibechana-58405	25	28	s	s	PROPN
bibechana-58405	25	29	,	,	PUNCT
bibechana-58405	25	30	σ	σ	NOUN
bibechana-58405	25	31	,	,	PUNCT
bibechana-58405	25	32	and	and	CCONJ
bibechana-58405	25	33	κele	κele	NOUN
bibechana-58405	25	34	becomes	become	VERB
bibechana-58405	25	35	crucial	crucial	ADJ
bibechana-58405	25	36	in	in	ADP
bibechana-58405	25	37	optimizing	optimize	VERB
bibechana-58405	25	38	zt	zt	PROPN
bibechana-58405	25	39	value	value	NOUN
bibechana-58405	25	40	[	[	X
bibechana-58405	25	41	9	9	NUM
bibechana-58405	25	42	]	]	PUNCT
bibechana-58405	25	43	.	.	PUNCT
bibechana-58405	26	1	the	the	DET
bibechana-58405	26	2	lattice	lattice	PROPN
bibechana-58405	26	3	thermal	thermal	ADJ
bibechana-58405	26	4	conductivity	conductivity	NOUN
bibechana-58405	26	5	of	of	ADP
bibechana-58405	26	6	solid	solid	ADJ
bibechana-58405	26	7	[	[	X
bibechana-58405	26	8	10	10	NUM
bibechana-58405	26	9	]	]	PUNCT
bibechana-58405	26	10	,	,	PUNCT
bibechana-58405	26	11	κl	κl	ADJ
bibechana-58405	26	12	=	=	SYM
bibechana-58405	26	13	1/3cvvsl	1/3cvvsl	NOUN
bibechana-58405	26	14	,	,	PUNCT
bibechana-58405	26	15	is	be	AUX
bibechana-58405	26	16	directly	directly	ADV
bibechana-58405	26	17	influenced	influence	VERB
bibechana-58405	26	18	by	by	ADP
bibechana-58405	26	19	the	the	DET
bibechana-58405	26	20	phonon	phonon	NOUN
bibechana-58405	26	21	velocity	velocity	NOUN
bibechana-58405	26	22	(	(	PUNCT
bibechana-58405	26	23	vs	vs	NOUN
bibechana-58405	26	24	)	)	PUNCT
bibechana-58405	26	25	and	and	CCONJ
bibechana-58405	26	26	mean	mean	VERB
bibechana-58405	26	27	free	free	ADJ
bibechana-58405	26	28	path	path	NOUN
bibechana-58405	26	29	(	(	PUNCT
bibechana-58405	26	30	mfp	mfp	PROPN
bibechana-58405	26	31	)	)	PUNCT
bibechana-58405	26	32	(	(	PUNCT
bibechana-58405	26	33	l	l	NOUN
bibechana-58405	26	34	)	)	PUNCT
bibechana-58405	26	35	.	.	PUNCT
bibechana-58405	27	1	by	by	ADP
bibechana-58405	27	2	increasing	increase	VERB
bibechana-58405	27	3	the	the	DET
bibechana-58405	27	4	scattering	scattering	NOUN
bibechana-58405	27	5	of	of	ADP
bibechana-58405	27	6	phonons	phonon	NOUN
bibechana-58405	27	7	,	,	PUNCT
bibechana-58405	27	8	the	the	DET
bibechana-58405	27	9	heat	heat	NOUN
bibechana-58405	27	10	flux	flux	NOUN
bibechana-58405	27	11	can	can	AUX
bibechana-58405	27	12	be	be	AUX
bibechana-58405	27	13	reduced	reduce	VERB
bibechana-58405	27	14	hindering	hinder	VERB
bibechana-58405	27	15	mfp	mfp	PROPN
bibechana-58405	27	16	and	and	CCONJ
bibechana-58405	27	17	resulting	result	VERB
bibechana-58405	27	18	in	in	ADP
bibechana-58405	27	19	lower	low	ADJ
bibechana-58405	27	20	κl	κl	ADJ
bibechana-58405	27	21	[	[	X
bibechana-58405	27	22	11	11	NUM
bibechana-58405	27	23	]	]	PUNCT
bibechana-58405	27	24	.	.	PUNCT
bibechana-58405	28	1	multiple	multiple	ADJ
bibechana-58405	28	2	methods	method	NOUN
bibechana-58405	28	3	like	like	ADP
bibechana-58405	28	4	grain	grain	NOUN
bibechana-58405	28	5	boundary	boundary	ADJ
bibechana-58405	28	6	scatterings	scattering	NOUN
bibechana-58405	28	7	,	,	PUNCT
bibechana-58405	28	8	point	point	NOUN
bibechana-58405	28	9	defects	defect	NOUN
bibechana-58405	28	10	,	,	PUNCT
bibechana-58405	28	11	dislocations	dislocation	NOUN
bibechana-58405	28	12	,	,	PUNCT
bibechana-58405	28	13	impurity	impurity	NOUN
bibechana-58405	28	14	scattering	scatter	VERB
bibechana-58405	28	15	[	[	X
bibechana-58405	28	16	12	12	NUM
bibechana-58405	28	17	]	]	PUNCT
bibechana-58405	28	18	,	,	PUNCT
bibechana-58405	28	19	nanostructuring	nanostructure	VERB
bibechana-58405	28	20	[	[	X
bibechana-58405	28	21	13	13	NUM
bibechana-58405	28	22	]	]	PUNCT
bibechana-58405	28	23	,	,	PUNCT
bibechana-58405	28	24	alloy	alloy	NOUN
bibechana-58405	28	25	scattering	scatter	VERB
bibechana-58405	28	26	[	[	X
bibechana-58405	28	27	14	14	NUM
bibechana-58405	28	28	]	]	X
bibechana-58405	28	29	leading	lead	VERB
bibechana-58405	28	30	anharmonicity	anharmonicity	NOUN
bibechana-58405	28	31	reduce	reduce	VERB
bibechana-58405	28	32	κl	κl	ADV
bibechana-58405	28	33	by	by	ADP
bibechana-58405	28	34	scattering	scatter	VERB
bibechana-58405	28	35	phonons	phonon	NOUN
bibechana-58405	28	36	.	.	PUNCT
bibechana-58405	29	1	the	the	DET
bibechana-58405	29	2	dominant	dominant	ADJ
bibechana-58405	29	3	scattering	scattering	NOUN
bibechana-58405	29	4	mechanism	mechanism	NOUN
bibechana-58405	29	5	in	in	ADP
bibechana-58405	29	6	a	a	DET
bibechana-58405	29	7	material	material	NOUN
bibechana-58405	29	8	is	be	AUX
bibechana-58405	29	9	temperature	temperature	NOUN
bibechana-58405	29	10	dependent	dependent	ADJ
bibechana-58405	29	11	.	.	PUNCT
bibechana-58405	30	1	at	at	ADP
bibechana-58405	30	2	low	low	ADJ
bibechana-58405	30	3	temperatures	temperature	NOUN
bibechana-58405	30	4	,	,	PUNCT
bibechana-58405	30	5	grain	grain	NOUN
bibechana-58405	30	6	boundary	boundary	ADJ
bibechana-58405	30	7	scattering	scattering	NOUN
bibechana-58405	30	8	are	be	AUX
bibechana-58405	30	9	significant	significant	ADJ
bibechana-58405	30	10	whereas	whereas	SCONJ
bibechana-58405	30	11	near	near	ADJ
bibechana-58405	30	12	to	to	ADP
bibechana-58405	30	13	debye	debye	ADJ
bibechana-58405	30	14	temperature	temperature	NOUN
bibechana-58405	30	15	,	,	PUNCT
bibechana-58405	30	16	defects	defect	NOUN
bibechana-58405	30	17	act	act	VERB
bibechana-58405	30	18	as	as	ADP
bibechana-58405	30	19	scattering	scatter	VERB
bibechana-58405	30	20	centers	center	NOUN
bibechana-58405	30	21	and	and	CCONJ
bibechana-58405	30	22	above	above	ADP
bibechana-58405	30	23	room	room	NOUN
bibechana-58405	30	24	temperature	temperature	NOUN
bibechana-58405	30	25	phonon	phonon	NOUN
bibechana-58405	30	26	-	-	PUNCT
bibechana-58405	30	27	phonon	phonon	NOUN
bibechana-58405	30	28	scattering	scattering	NOUN
bibechana-58405	30	29	dominates	dominate	VERB
bibechana-58405	30	30	[	[	X
bibechana-58405	30	31	15	15	NUM
bibechana-58405	30	32	,	,	PUNCT
bibechana-58405	30	33	16	16	NUM
bibechana-58405	30	34	]	]	PUNCT
bibechana-58405	30	35	.	.	PUNCT
bibechana-58405	31	1	phonon	phonon	NOUN
bibechana-58405	31	2	boltzmann	boltzmann	PROPN
bibechana-58405	31	3	transport	transport	NOUN
bibechana-58405	31	4	equation	equation	NOUN
bibechana-58405	31	5	(	(	PUNCT
bibechana-58405	31	6	pbte	pbte	NOUN
bibechana-58405	31	7	)	)	PUNCT
bibechana-58405	32	1	[	[	X
bibechana-58405	32	2	17	17	NUM
bibechana-58405	32	3	]	]	PUNCT
bibechana-58405	32	4	involving	involve	VERB
bibechana-58405	32	5	large	large	ADJ
bibechana-58405	32	6	numbers	number	NOUN
bibechana-58405	32	7	of	of	ADP
bibechana-58405	32	8	linear	linear	ADJ
bibechana-58405	32	9	equations	equation	NOUN
bibechana-58405	32	10	are	be	AUX
bibechana-58405	32	11	challenging	challenge	VERB
bibechana-58405	32	12	to	to	PART
bibechana-58405	32	13	solve	solve	VERB
bibechana-58405	32	14	for	for	ADP
bibechana-58405	32	15	κl	κl	ADJ
bibechana-58405	32	16	due	due	ADJ
bibechana-58405	32	17	to	to	ADP
bibechana-58405	32	18	high	high	ADJ
bibechana-58405	32	19	dimensionality	dimensionality	NOUN
bibechana-58405	32	20	and	and	CCONJ
bibechana-58405	32	21	complexity	complexity	NOUN
bibechana-58405	32	22	of	of	ADP
bibechana-58405	32	23	determining	determine	VERB
bibechana-58405	32	24	reliable	reliable	ADJ
bibechana-58405	32	25	ii	ii	PROPN
bibechana-58405	32	26	and	and	CCONJ
bibechana-58405	32	27	iii	iii	NOUN
bibechana-58405	32	28	-	-	PUNCT
bibechana-58405	32	29	order	order	NOUN
bibechana-58405	32	30	force	force	NOUN
bibechana-58405	32	31	constants	constant	NOUN
bibechana-58405	32	32	based	base	VERB
bibechana-58405	32	33	on	on	ADP
bibechana-58405	32	34	atomic	atomic	ADJ
bibechana-58405	32	35	interactions	interaction	NOUN
bibechana-58405	32	36	[	[	X
bibechana-58405	32	37	18	18	NUM
bibechana-58405	32	38	]	]	PUNCT
bibechana-58405	32	39	.	.	PUNCT
bibechana-58405	33	1	iterative	iterative	NOUN
bibechana-58405	33	2	solutions	solution	NOUN
bibechana-58405	33	3	based	base	VERB
bibechana-58405	33	4	on	on	ADP
bibechana-58405	33	5	dft	dft	PROPN
bibechana-58405	33	6	calculations	calculation	NOUN
bibechana-58405	33	7	,	,	PUNCT
bibechana-58405	33	8	such	such	ADJ
bibechana-58405	33	9	as	as	ADP
bibechana-58405	33	10	shengbte	shengbte	NOUN
bibechana-58405	33	11	software	software	NOUN
bibechana-58405	33	12	[	[	X
bibechana-58405	33	13	19	19	NUM
bibechana-58405	33	14	]	]	PUNCT
bibechana-58405	33	15	,	,	PUNCT
bibechana-58405	33	16	temperature	temperature	NOUN
bibechana-58405	33	17	gradient	gradient	NOUN
bibechana-58405	33	18	molecular	molecular	ADJ
bibechana-58405	33	19	dynamics	dynamic	NOUN
bibechana-58405	33	20	(	(	PUNCT
bibechana-58405	33	21	md	md	PROPN
bibechana-58405	33	22	)	)	PUNCT
bibechana-58405	33	23	simulations	simulation	NOUN
bibechana-58405	33	24	based	base	VERB
bibechana-58405	33	25	software	software	NOUN
bibechana-58405	33	26	tools	tool	NOUN
bibechana-58405	33	27	like	like	ADP
bibechana-58405	33	28	lammps	lammp	NOUN
bibechana-58405	33	29	[	[	X
bibechana-58405	33	30	20	20	NUM
bibechana-58405	33	31	]	]	PUNCT
bibechana-58405	33	32	require	require	VERB
bibechana-58405	33	33	a	a	DET
bibechana-58405	33	34	high	high	ADJ
bibechana-58405	33	35	computational	computational	ADJ
bibechana-58405	33	36	cost	cost	NOUN
bibechana-58405	33	37	[	[	X
bibechana-58405	33	38	20	20	NUM
bibechana-58405	33	39	]	]	PUNCT
bibechana-58405	33	40	.	.	PUNCT
bibechana-58405	34	1	the	the	DET
bibechana-58405	34	2	debye	debye	ADJ
bibechana-58405	34	3	-	-	PUNCT
bibechana-58405	34	4	callaway	callaway	PROPN
bibechana-58405	34	5	model	model	NOUN
bibechana-58405	34	6	offers	offer	VERB
bibechana-58405	34	7	a	a	DET
bibechana-58405	34	8	method	method	NOUN
bibechana-58405	34	9	to	to	PART
bibechana-58405	34	10	estimate	estimate	VERB
bibechana-58405	34	11	κl	κl	ADV
bibechana-58405	34	12	using	use	VERB
bibechana-58405	34	13	debye	debye	ADJ
bibechana-58405	34	14	temperature	temperature	NOUN
bibechana-58405	34	15	(	(	PUNCT
bibechana-58405	34	16	θd	θd	NOUN
bibechana-58405	34	17	)	)	PUNCT
bibechana-58405	34	18	,	,	PUNCT
bibechana-58405	34	19	phonon	phonon	NOUN
bibechana-58405	34	20	velocity	velocity	NOUN
bibechana-58405	34	21	(	(	PUNCT
bibechana-58405	34	22	vs	vs	NOUN
bibechana-58405	34	23	)	)	PUNCT
bibechana-58405	34	24	,	,	PUNCT
bibechana-58405	34	25	and	and	CCONJ
bibechana-58405	34	26	the	the	DET
bibechana-58405	34	27	grüneisen	grüneisen	ADJ
bibechana-58405	34	28	parameter	parameter	NOUN
bibechana-58405	34	29	(	(	PUNCT
bibechana-58405	34	30	υ	υ	NOUN
bibechana-58405	34	31	)	)	PUNCT
bibechana-58405	35	1	[	[	X
bibechana-58405	35	2	21	21	NUM
bibechana-58405	35	3	]	]	PUNCT
bibechana-58405	35	4	.	.	PUNCT
bibechana-58405	36	1	slack	slack	NOUN
bibechana-58405	36	2	developed	develop	VERB
bibechana-58405	36	3	a	a	DET
bibechana-58405	36	4	model	model	NOUN
bibechana-58405	36	5	[	[	X
bibechana-58405	36	6	22	22	NUM
bibechana-58405	36	7	]	]	PUNCT
bibechana-58405	36	8	(	(	PUNCT
bibechana-58405	36	9	equation	equation	NOUN
bibechana-58405	36	10	3	3	NUM
bibechana-58405	36	11	)	)	PUNCT
bibechana-58405	36	12	to	to	PART
bibechana-58405	36	13	express	express	VERB
bibechana-58405	36	14	the	the	DET
bibechana-58405	36	15	κl	κl	ADJ
bibechana-58405	36	16	in	in	ADP
bibechana-58405	36	17	semiconductors	semiconductor	NOUN
bibechana-58405	36	18	,	,	PUNCT
bibechana-58405	36	19	considering	consider	VERB
bibechana-58405	36	20	the	the	DET
bibechana-58405	36	21	significant	significant	ADJ
bibechana-58405	36	22	role	role	NOUN
bibechana-58405	36	23	of	of	ADP
bibechana-58405	36	24	acoustic	acoustic	ADJ
bibechana-58405	36	25	modes	mode	NOUN
bibechana-58405	36	26	in	in	ADP
bibechana-58405	36	27	heat	heat	NOUN
bibechana-58405	36	28	transfer	transfer	NOUN
bibechana-58405	36	29	.	.	PUNCT
bibechana-58405	37	1	half	half	ADJ
bibechana-58405	37	2	-	-	PUNCT
bibechana-58405	37	3	heusler	heusler	NOUN
bibechana-58405	37	4	compounds	compound	NOUN
bibechana-58405	37	5	display	display	VERB
bibechana-58405	37	6	a	a	DET
bibechana-58405	37	7	wide	wide	ADJ
bibechana-58405	37	8	range	range	NOUN
bibechana-58405	37	9	of	of	ADP
bibechana-58405	37	10	thermal	thermal	ADJ
bibechana-58405	37	11	conductivities	conductivity	NOUN
bibechana-58405	37	12	[	[	X
bibechana-58405	37	13	7	7	NUM
bibechana-58405	37	14	]	]	PUNCT
bibechana-58405	37	15	.	.	PUNCT
bibechana-58405	38	1	the	the	DET
bibechana-58405	38	2	presence	presence	NOUN
bibechana-58405	38	3	of	of	ADP
bibechana-58405	38	4	symmetry	symmetry	NOUN
bibechana-58405	38	5	in	in	ADP
bibechana-58405	38	6	hhs	hhs	PROPN
bibechana-58405	38	7	contributes	contribute	VERB
bibechana-58405	38	8	to	to	ADP
bibechana-58405	38	9	a	a	DET
bibechana-58405	38	10	decreased	decrease	VERB
bibechana-58405	38	11	computational	computational	ADJ
bibechana-58405	38	12	cost	cost	NOUN
bibechana-58405	38	13	in	in	ADP
bibechana-58405	38	14	comparison	comparison	NOUN
bibechana-58405	38	15	to	to	ADP
bibechana-58405	38	16	more	more	ADV
bibechana-58405	38	17	intricate	intricate	ADJ
bibechana-58405	38	18	systems	system	NOUN
bibechana-58405	38	19	like	like	ADP
bibechana-58405	38	20	layered	layered	ADJ
bibechana-58405	38	21	compounds	compound	NOUN
bibechana-58405	38	22	or	or	CCONJ
bibechana-58405	38	23	those	those	PRON
bibechana-58405	38	24	with	with	ADP
bibechana-58405	38	25	distorted	distorted	ADJ
bibechana-58405	38	26	symmetries	symmetry	NOUN
bibechana-58405	38	27	[	[	X
bibechana-58405	38	28	23	23	NUM
bibechana-58405	38	29	]	]	PUNCT
bibechana-58405	38	30	.	.	PUNCT
bibechana-58405	39	1	the	the	DET
bibechana-58405	39	2	κl	κl	ADJ
bibechana-58405	39	3	of	of	ADP
bibechana-58405	39	4	the	the	DET
bibechana-58405	39	5	18	18	NUM
bibechana-58405	39	6	valence	valence	NOUN
bibechana-58405	39	7	electron	electron	NOUN
bibechana-58405	39	8	system	system	NOUN
bibechana-58405	39	9	xnisn	xnisn	PROPN
bibechana-58405	39	10	(	(	PUNCT
bibechana-58405	39	11	x	x	X
bibechana-58405	39	12	=	=	SYM
bibechana-58405	39	13	ti	ti	NOUN
bibechana-58405	39	14	,	,	PUNCT
bibechana-58405	39	15	zr	zr	PROPN
bibechana-58405	39	16	,	,	PUNCT
bibechana-58405	39	17	hf	hf	NOUN
bibechana-58405	39	18	)	)	PUNCT
bibechana-58405	39	19	has	have	AUX
bibechana-58405	39	20	been	be	AUX
bibechana-58405	39	21	reported	report	VERB
bibechana-58405	39	22	in	in	ADP
bibechana-58405	39	23	many	many	ADJ
bibechana-58405	39	24	experimental	experimental	ADJ
bibechana-58405	39	25	and	and	CCONJ
bibechana-58405	39	26	computational	computational	ADJ
bibechana-58405	39	27	studies	study	NOUN
bibechana-58405	39	28	[	[	X
bibechana-58405	39	29	8	8	NUM
bibechana-58405	39	30	,	,	PUNCT
bibechana-58405	39	31	24–28	24–28	NUM
bibechana-58405	39	32	]	]	PUNCT
bibechana-58405	39	33	.	.	PUNCT
bibechana-58405	40	1	instead	instead	ADV
bibechana-58405	40	2	of	of	ADP
bibechana-58405	40	3	computationally	computationally	ADV
bibechana-58405	40	4	expensive	expensive	ADJ
bibechana-58405	40	5	models	model	NOUN
bibechana-58405	40	6	,	,	PUNCT
bibechana-58405	40	7	the	the	DET
bibechana-58405	40	8	slack	slack	NOUN
bibechana-58405	40	9	model	model	NOUN
bibechana-58405	40	10	is	be	AUX
bibechana-58405	40	11	more	more	ADV
bibechana-58405	40	12	efficient	efficient	ADJ
bibechana-58405	40	13	and	and	CCONJ
bibechana-58405	40	14	feasible	feasible	ADJ
bibechana-58405	40	15	to	to	PART
bibechana-58405	40	16	predict	predict	VERB
bibechana-58405	40	17	the	the	DET
bibechana-58405	40	18	lattice	lattice	ADJ
bibechana-58405	40	19	thermal	thermal	ADJ
bibechana-58405	40	20	conductivity	conductivity	NOUN
bibechana-58405	40	21	(	(	PUNCT
bibechana-58405	40	22	κl	κl	ADJ
bibechana-58405	40	23	)	)	PUNCT
bibechana-58405	40	24	and	and	CCONJ
bibechana-58405	40	25	providing	provide	VERB
bibechana-58405	40	26	insights	insight	NOUN
bibechana-58405	40	27	into	into	ADP
bibechana-58405	40	28	thermal	thermal	ADJ
bibechana-58405	40	29	transport	transport	NOUN
bibechana-58405	40	30	.	.	PUNCT
bibechana-58405	41	1	to	to	ADP
bibechana-58405	41	2	our	our	PRON
bibechana-58405	41	3	best	good	ADJ
bibechana-58405	41	4	knowledge	knowledge	NOUN
bibechana-58405	41	5	,	,	PUNCT
bibechana-58405	41	6	a	a	DET
bibechana-58405	41	7	comprehensive	comprehensive	ADJ
bibechana-58405	41	8	comparison	comparison	NOUN
bibechana-58405	41	9	of	of	ADP
bibechana-58405	41	10	the	the	DET
bibechana-58405	41	11	κl	κl	ADJ
bibechana-58405	41	12	values	value	NOUN
bibechana-58405	41	13	for	for	ADP
bibechana-58405	41	14	these	these	DET
bibechana-58405	41	15	compounds	compound	NOUN
bibechana-58405	41	16	using	use	VERB
bibechana-58405	41	17	slack	slack	NOUN
bibechana-58405	41	18	’s	’s	PART
bibechana-58405	41	19	model	model	NOUN
bibechana-58405	41	20	is	be	AUX
bibechana-58405	41	21	still	still	ADV
bibechana-58405	41	22	not	not	PART
bibechana-58405	41	23	available	available	ADJ
bibechana-58405	41	24	.	.	PUNCT
bibechana-58405	42	1	such	such	DET
bibechana-58405	42	2	a	a	DET
bibechana-58405	42	3	comparison	comparison	NOUN
bibechana-58405	42	4	could	could	AUX
bibechana-58405	42	5	be	be	AUX
bibechana-58405	42	6	beneficial	beneficial	ADJ
bibechana-58405	42	7	in	in	ADP
bibechana-58405	42	8	the	the	DET
bibechana-58405	42	9	field	field	NOUN
bibechana-58405	42	10	of	of	ADP
bibechana-58405	42	11	high	high	ADJ
bibechana-58405	42	12	-	-	PUNCT
bibechana-58405	42	13	throughput	throughput	NOUN
bibechana-58405	42	14	computations	computation	NOUN
bibechana-58405	42	15	to	to	PART
bibechana-58405	42	16	seek	seek	VERB
bibechana-58405	42	17	for	for	ADP
bibechana-58405	42	18	the	the	DET
bibechana-58405	42	19	materials	material	NOUN
bibechana-58405	42	20	with	with	ADP
bibechana-58405	42	21	ultralow	ultralow	NOUN
bibechana-58405	42	22	or	or	CCONJ
bibechana-58405	42	23	ultrahigh	ultrahigh	VERB
bibechana-58405	42	24	κl	κl	ADV
bibechana-58405	42	25	efficiently	efficiently	ADV
bibechana-58405	42	26	.	.	PUNCT
bibechana-58405	43	1	it	it	PRON
bibechana-58405	43	2	could	could	AUX
bibechana-58405	43	3	eliminate	eliminate	VERB
bibechana-58405	43	4	the	the	DET
bibechana-58405	43	5	need	need	NOUN
bibechana-58405	43	6	for	for	ADP
bibechana-58405	43	7	extensive	extensive	ADJ
bibechana-58405	43	8	efforts	effort	NOUN
bibechana-58405	43	9	in	in	ADP
bibechana-58405	43	10	calculating	calculate	VERB
bibechana-58405	43	11	the	the	DET
bibechana-58405	43	12	debye	debye	ADJ
bibechana-58405	43	13	temperature	temperature	NOUN
bibechana-58405	43	14	and	and	CCONJ
bibechana-58405	43	15	grüneisen	grüneisen	ADJ
bibechana-58405	43	16	parameter	parameter	NOUN
bibechana-58405	43	17	,	,	PUNCT
bibechana-58405	43	18	as	as	SCONJ
bibechana-58405	43	19	required	require	VERB
bibechana-58405	43	20	by	by	ADP
bibechana-58405	43	21	alternative	alternative	ADJ
bibechana-58405	43	22	methods	method	NOUN
bibechana-58405	43	23	.	.	PUNCT
bibechana-58405	44	1	in	in	ADP
bibechana-58405	44	2	the	the	DET
bibechana-58405	44	3	present	present	ADJ
bibechana-58405	44	4	work	work	NOUN
bibechana-58405	44	5	,	,	PUNCT
bibechana-58405	44	6	our	our	PRON
bibechana-58405	44	7	primary	primary	ADJ
bibechana-58405	44	8	focus	focus	NOUN
bibechana-58405	44	9	is	be	AUX
bibechana-58405	44	10	on	on	ADP
bibechana-58405	44	11	calculating	calculate	VERB
bibechana-58405	44	12	κl	κl	ADJ
bibechana-58405	44	13	of	of	ADP
bibechana-58405	44	14	hh	hh	PROPN
bibechana-58405	44	15	xnisn	xnisn	PROPN
bibechana-58405	44	16	(	(	PUNCT
bibechana-58405	44	17	x	x	X
bibechana-58405	44	18	=	=	SYM
bibechana-58405	44	19	ti	ti	NOUN
bibechana-58405	44	20	,	,	PUNCT
bibechana-58405	44	21	zr	zr	PROPN
bibechana-58405	44	22	,	,	PUNCT
bibechana-58405	44	23	hf	hf	NOUN
bibechana-58405	44	24	)	)	PUNCT
bibechana-58405	44	25	using	use	VERB
bibechana-58405	44	26	slack	slack	NOUN
bibechana-58405	44	27	’s	’s	PART
bibechana-58405	44	28	equation	equation	NOUN
bibechana-58405	44	29	.	.	PUNCT
bibechana-58405	45	1	we	we	PRON
bibechana-58405	45	2	obtained	obtain	VERB
bibechana-58405	45	3	the	the	DET
bibechana-58405	45	4	required	require	VERB
bibechana-58405	45	5	parameters	parameter	NOUN
bibechana-58405	45	6	for	for	ADP
bibechana-58405	45	7	the	the	DET
bibechana-58405	45	8	equation	equation	NOUN
bibechana-58405	45	9	from	from	ADP
bibechana-58405	45	10	two	two	NUM
bibechana-58405	45	11	different	different	ADJ
bibechana-58405	45	12	approaches	approach	NOUN
bibechana-58405	45	13	:	:	PUNCT
bibechana-58405	45	14	from	from	ADP
bibechana-58405	45	15	elastic	elastic	ADJ
bibechana-58405	45	16	constants	constant	NOUN
bibechana-58405	45	17	by	by	ADP
bibechana-58405	45	18	qha	qha	NOUN
bibechana-58405	45	19	in	in	ADP
bibechana-58405	45	20	thermo_pw	thermo_pw	PROPN
bibechana-58405	45	21	code	code	NOUN
bibechana-58405	46	1	[	[	X
bibechana-58405	46	2	29	29	NUM
bibechana-58405	46	3	]	]	PUNCT
bibechana-58405	46	4	implemented	implement	VERB
bibechana-58405	46	5	in	in	ADP
bibechana-58405	46	6	quantum	quantum	ADJ
bibechana-58405	46	7	espresso	espresso	NOUN
bibechana-58405	46	8	and	and	CCONJ
bibechana-58405	46	9	the	the	DET
bibechana-58405	46	10	slopes	slope	NOUN
bibechana-58405	46	11	of	of	ADP
bibechana-58405	46	12	acoustical	acoustical	ADJ
bibechana-58405	46	13	branches	branch	NOUN
bibechana-58405	46	14	of	of	ADP
bibechana-58405	46	15	phonon	phonon	NOUN
bibechana-58405	46	16	bands	band	NOUN
bibechana-58405	46	17	using	use	VERB
bibechana-58405	46	18	dfpt	dfpt	NOUN
bibechana-58405	46	19	[	[	X
bibechana-58405	46	20	30	30	NUM
bibechana-58405	46	21	]	]	PUNCT
bibechana-58405	46	22	.	.	PUNCT
bibechana-58405	47	1	the	the	DET
bibechana-58405	47	2	paper	paper	NOUN
bibechana-58405	47	3	is	be	AUX
bibechana-58405	47	4	structured	structure	VERB
bibechana-58405	47	5	as	as	SCONJ
bibechana-58405	47	6	follows	follow	VERB
bibechana-58405	47	7	:	:	PUNCT
bibechana-58405	47	8	second	second	ADJ
bibechana-58405	47	9	section	section	NOUN
bibechana-58405	47	10	discusses	discuss	VERB
bibechana-58405	47	11	the	the	DET
bibechana-58405	47	12	computational	computational	ADJ
bibechana-58405	47	13	details	detail	NOUN
bibechana-58405	47	14	,	,	PUNCT
bibechana-58405	47	15	the	the	DET
bibechana-58405	47	16	third	third	ADJ
bibechana-58405	47	17	section	section	NOUN
bibechana-58405	47	18	focuses	focus	VERB
bibechana-58405	47	19	on	on	ADP
bibechana-58405	47	20	the	the	DET
bibechana-58405	47	21	main	main	ADJ
bibechana-58405	47	22	results	result	NOUN
bibechana-58405	47	23	and	and	CCONJ
bibechana-58405	47	24	discussion	discussion	NOUN
bibechana-58405	47	25	and	and	CCONJ
bibechana-58405	47	26	the	the	DET
bibechana-58405	47	27	last	last	ADJ
bibechana-58405	47	28	section	section	NOUN
bibechana-58405	47	29	presents	present	VERB
bibechana-58405	47	30	the	the	DET
bibechana-58405	47	31	conclusions	conclusion	NOUN
bibechana-58405	47	32	and	and	CCONJ
bibechana-58405	47	33	concluding	conclude	VERB
bibechana-58405	47	34	remarks	remark	NOUN
bibechana-58405	47	35	of	of	ADP
bibechana-58405	47	36	present	present	ADJ
bibechana-58405	47	37	work	work	NOUN
bibechana-58405	47	38	.	.	PUNCT
bibechana-58405	48	1	2	2	NUM
bibechana-58405	48	2	computational	computational	ADJ
bibechana-58405	48	3	details	detail	NOUN
bibechana-58405	48	4	we	we	PRON
bibechana-58405	48	5	used	use	VERB
bibechana-58405	48	6	dft	dft	PROPN
bibechana-58405	48	7	[	[	X
bibechana-58405	48	8	31	31	NUM
bibechana-58405	48	9	]	]	PUNCT
bibechana-58405	48	10	in	in	ADP
bibechana-58405	48	11	quantum	quantum	ADJ
bibechana-58405	48	12	espresso	espresso	NOUN
bibechana-58405	48	13	(	(	PUNCT
bibechana-58405	48	14	version	version	NOUN
bibechana-58405	48	15	7.1	7.1	NUM
bibechana-58405	48	16	)	)	PUNCT
bibechana-58405	49	1	[	[	X
bibechana-58405	49	2	32	32	NUM
bibechana-58405	49	3	]	]	PUNCT
bibechana-58405	49	4	with	with	ADP
bibechana-58405	49	5	a	a	DET
bibechana-58405	49	6	plane	plane	NOUN
bibechana-58405	49	7	wave	wave	NOUN
bibechana-58405	49	8	basis	basis	NOUN
bibechana-58405	49	9	set	set	VERB
bibechana-58405	49	10	and	and	CCONJ
bibechana-58405	49	11	generalized	generalized	ADJ
bibechana-58405	49	12	gradient	gradient	NOUN
bibechana-58405	49	13	approximation	approximation	NOUN
bibechana-58405	49	14	(	(	PUNCT
bibechana-58405	49	15	gga	gga	NOUN
bibechana-58405	49	16	)	)	PUNCT
bibechana-58405	49	17	method	method	NOUN
bibechana-58405	49	18	with	with	ADP
bibechana-58405	49	19	perdew	perdew	PROPN
bibechana-58405	49	20	,	,	PUNCT
bibechana-58405	49	21	burke	burke	NOUN
bibechana-58405	49	22	and	and	CCONJ
bibechana-58405	49	23	ernzerhof	ernzerhof	NOUN
bibechana-58405	49	24	(	(	PUNCT
bibechana-58405	49	25	pbe	pbe	NOUN
bibechana-58405	49	26	)	)	PUNCT
bibechana-58405	49	27	exchangecorrelation	exchangecorrelation	NOUN
bibechana-58405	49	28	functional	functional	ADJ
bibechana-58405	50	1	[	[	X
bibechana-58405	50	2	33	33	NUM
bibechana-58405	50	3	]	]	PUNCT
bibechana-58405	50	4	.	.	PUNCT
bibechana-58405	51	1	the	the	DET
bibechana-58405	51	2	rrjk	rrjk	NOUN
bibechana-58405	51	3	model	model	NOUN
bibechana-58405	51	4	[	[	X
bibechana-58405	51	5	34	34	NUM
bibechana-58405	51	6	]	]	PUNCT
bibechana-58405	51	7	of	of	ADP
bibechana-58405	51	8	ultrasoft	ultrasoft	ADJ
bibechana-58405	51	9	pseudopotentials	pseudopotential	NOUN
bibechana-58405	51	10	was	be	AUX
bibechana-58405	51	11	used	use	VERB
bibechana-58405	51	12	for	for	ADP
bibechana-58405	51	13	calculations	calculation	NOUN
bibechana-58405	51	14	on	on	ADP
bibechana-58405	51	15	structural	structural	ADJ
bibechana-58405	51	16	optimization	optimization	NOUN
bibechana-58405	51	17	,	,	PUNCT
bibechana-58405	51	18	electronic	electronic	ADJ
bibechana-58405	51	19	and	and	CCONJ
bibechana-58405	51	20	magnetic	magnetic	ADJ
bibechana-58405	51	21	properties	property	NOUN
bibechana-58405	51	22	.	.	PUNCT
bibechana-58405	52	1	we	we	PRON
bibechana-58405	52	2	incorporated	incorporate	VERB
bibechana-58405	52	3	a	a	DET
bibechana-58405	52	4	kiprakash	kiprakash	NOUN
bibechana-58405	52	5	khatri	khatri	PROPN
bibechana-58405	52	6	and	and	CCONJ
bibechana-58405	52	7	n.	n.	PROPN
bibechana-58405	52	8	p.	p.	NOUN
bibechana-58405	52	9	adhikari/	adhikari/	NUM
bibechana-58405	52	10	bibechana	bibechana	NOUN
bibechana-58405	52	11	21	21	NUM
bibechana-58405	52	12	(	(	PUNCT
bibechana-58405	52	13	2024	2024	NUM
bibechana-58405	52	14	)	)	PUNCT
bibechana-58405	52	15	12	12	NUM
bibechana-58405	52	16	-	-	SYM
bibechana-58405	52	17	22	22	NUM
bibechana-58405	52	18	14	14	NUM
bibechana-58405	52	19	netic	netic	ADJ
bibechana-58405	52	20	energy	energy	NOUN
bibechana-58405	52	21	cutoff	cutoff	NOUN
bibechana-58405	52	22	of	of	ADP
bibechana-58405	52	23	70	70	NUM
bibechana-58405	52	24	ry	ry	NOUN
bibechana-58405	52	25	and	and	CCONJ
bibechana-58405	52	26	a	a	DET
bibechana-58405	52	27	charge	charge	NOUN
bibechana-58405	52	28	density	density	NOUN
bibechana-58405	52	29	cutoff	cutoff	NOUN
bibechana-58405	52	30	of	of	ADP
bibechana-58405	52	31	700	700	NUM
bibechana-58405	52	32	ry	ry	NOUN
bibechana-58405	52	33	with	with	ADP
bibechana-58405	52	34	brillouin	brillouin	NOUN
bibechana-58405	52	35	zone	zone	NOUN
bibechana-58405	52	36	integration	integration	NOUN
bibechana-58405	52	37	utilized	utilize	VERB
bibechana-58405	52	38	the	the	DET
bibechana-58405	52	39	monkhorst	monkhorst	NOUN
bibechana-58405	52	40	–	–	PUNCT
bibechana-58405	52	41	pack	pack	NOUN
bibechana-58405	52	42	scheme	scheme	NOUN
bibechana-58405	52	43	[	[	X
bibechana-58405	52	44	35	35	NUM
bibechana-58405	52	45	]	]	PUNCT
bibechana-58405	52	46	with	with	ADP
bibechana-58405	52	47	a	a	DET
bibechana-58405	52	48	10	10	NUM
bibechana-58405	52	49	×	×	NOUN
bibechana-58405	52	50	10	10	NUM
bibechana-58405	52	51	×	×	NOUN
bibechana-58405	52	52	10	10	NUM
bibechana-58405	52	53	k	k	NOUN
bibechana-58405	52	54	-	-	NOUN
bibechana-58405	52	55	mesh	mesh	NOUN
bibechana-58405	52	56	in	in	ADP
bibechana-58405	52	57	the	the	DET
bibechana-58405	52	58	first	first	ADJ
bibechana-58405	52	59	irreducible	irreducible	ADJ
bibechana-58405	52	60	brillouin	brillouin	NOUN
bibechana-58405	52	61	zone	zone	NOUN
bibechana-58405	52	62	.	.	PUNCT
bibechana-58405	53	1	the	the	DET
bibechana-58405	53	2	"	"	PUNCT
bibechana-58405	53	3	david	david	PROPN
bibechana-58405	53	4	"	"	PUNCT
bibechana-58405	53	5	diagonalization	diagonalization	NOUN
bibechana-58405	53	6	method	method	NOUN
bibechana-58405	53	7	with	with	ADP
bibechana-58405	53	8	a	a	DET
bibechana-58405	53	9	mixing	mix	VERB
bibechana-58405	53	10	factor	factor	NOUN
bibechana-58405	53	11	of	of	ADP
bibechana-58405	53	12	0.3	0.3	NUM
bibechana-58405	53	13	is	be	AUX
bibechana-58405	53	14	employed	employ	VERB
bibechana-58405	53	15	in	in	ADP
bibechana-58405	53	16	the	the	DET
bibechana-58405	53	17	self	self	NOUN
bibechana-58405	53	18	-	-	PUNCT
bibechana-58405	53	19	consistent	consistent	ADJ
bibechana-58405	53	20	field	field	NOUN
bibechana-58405	53	21	(	(	PUNCT
bibechana-58405	53	22	scf	scf	PROPN
bibechana-58405	53	23	)	)	PUNCT
bibechana-58405	53	24	calculations	calculation	NOUN
bibechana-58405	53	25	,	,	PUNCT
bibechana-58405	53	26	with	with	ADP
bibechana-58405	53	27	a	a	DET
bibechana-58405	53	28	convergence	convergence	NOUN
bibechana-58405	53	29	threshold	threshold	NOUN
bibechana-58405	53	30	of	of	ADP
bibechana-58405	53	31	10−6	10−6	NUM
bibechana-58405	53	32	ry	ry	NOUN
bibechana-58405	53	33	.	.	PROPN
bibechana-58405	54	1	for	for	ADP
bibechana-58405	54	2	band	band	NOUN
bibechana-58405	54	3	structure	structure	NOUN
bibechana-58405	54	4	calculations	calculation	NOUN
bibechana-58405	54	5	,	,	PUNCT
bibechana-58405	54	6	k	k	X
bibechana-58405	54	7	-	-	PUNCT
bibechana-58405	54	8	points	point	NOUN
bibechana-58405	54	9	were	be	AUX
bibechana-58405	54	10	chosen	choose	VERB
bibechana-58405	54	11	along	along	ADP
bibechana-58405	54	12	γ→x→w→k→γ→l→u→w→l→k	γ→x→w→k→γ→l→u→w→l→k	NOUN
bibechana-58405	54	13	,	,	PUNCT
bibechana-58405	54	14	high	high	ADJ
bibechana-58405	54	15	symmetry	symmetry	NOUN
bibechana-58405	54	16	path	path	NOUN
bibechana-58405	54	17	(	(	PUNCT
bibechana-58405	54	18	figure	figure	NOUN
bibechana-58405	54	19	1(c	1(c	NUM
bibechana-58405	54	20	)	)	PUNCT
bibechana-58405	54	21	)	)	PUNCT
bibechana-58405	54	22	,	,	PUNCT
bibechana-58405	54	23	in	in	ADP
bibechana-58405	54	24	the	the	DET
bibechana-58405	54	25	first	first	ADJ
bibechana-58405	54	26	brillouin	brillouin	NOUN
bibechana-58405	54	27	zone	zone	NOUN
bibechana-58405	54	28	of	of	ADP
bibechana-58405	54	29	reciprocal	reciprocal	ADJ
bibechana-58405	54	30	lattice	lattice	NOUN
bibechana-58405	54	31	.	.	PUNCT
bibechana-58405	55	1	the	the	DET
bibechana-58405	55	2	density	density	NOUN
bibechana-58405	55	3	of	of	ADP
bibechana-58405	55	4	states	state	NOUN
bibechana-58405	55	5	and	and	CCONJ
bibechana-58405	55	6	partial	partial	ADJ
bibechana-58405	55	7	density	density	NOUN
bibechana-58405	55	8	of	of	ADP
bibechana-58405	55	9	states	state	NOUN
bibechana-58405	55	10	were	be	AUX
bibechana-58405	55	11	computed	compute	VERB
bibechana-58405	55	12	through	through	ADP
bibechana-58405	55	13	non	non	ADJ
bibechana-58405	55	14	-	-	ADJ
bibechana-58405	55	15	self	self	ADJ
bibechana-58405	55	16	consistent	consistent	ADJ
bibechana-58405	55	17	field	field	NOUN
bibechana-58405	55	18	(	(	PUNCT
bibechana-58405	55	19	nscf	nscf	NOUN
bibechana-58405	55	20	)	)	PUNCT
bibechana-58405	55	21	calculations	calculation	NOUN
bibechana-58405	55	22	with	with	ADP
bibechana-58405	55	23	a	a	DET
bibechana-58405	55	24	denser	dense	ADJ
bibechana-58405	55	25	mesh	mesh	NOUN
bibechana-58405	55	26	of	of	ADP
bibechana-58405	55	27	20	20	NUM
bibechana-58405	55	28	×	×	NOUN
bibechana-58405	55	29	20	20	NUM
bibechana-58405	55	30	×	×	NOUN
bibechana-58405	55	31	20	20	NUM
bibechana-58405	55	32	k	k	NOUN
bibechana-58405	55	33	-	-	PUNCT
bibechana-58405	55	34	points	point	NOUN
bibechana-58405	55	35	.	.	PUNCT
bibechana-58405	56	1	marzarrivanderbilt	marzarrivanderbilt	ADJ
bibechana-58405	56	2	smearing	smear	VERB
bibechana-58405	56	3	[	[	X
bibechana-58405	56	4	36	36	NUM
bibechana-58405	56	5	]	]	PUNCT
bibechana-58405	56	6	of	of	ADP
bibechana-58405	56	7	broadening	broaden	VERB
bibechana-58405	56	8	width	width	NOUN
bibechana-58405	56	9	of	of	ADP
bibechana-58405	56	10	0.005	0.005	NUM
bibechana-58405	56	11	ry	ry	NOUN
bibechana-58405	56	12	was	be	AUX
bibechana-58405	56	13	employed	employ	VERB
bibechana-58405	56	14	in	in	ADP
bibechana-58405	56	15	all	all	DET
bibechana-58405	56	16	calculations	calculation	NOUN
bibechana-58405	56	17	.	.	PUNCT
bibechana-58405	57	1	the	the	DET
bibechana-58405	57	2	compounds	compound	NOUN
bibechana-58405	57	3	’	’	PART
bibechana-58405	57	4	dynamical	dynamical	ADJ
bibechana-58405	57	5	stability	stability	NOUN
bibechana-58405	57	6	was	be	AUX
bibechana-58405	57	7	checked	check	VERB
bibechana-58405	57	8	via	via	ADP
bibechana-58405	57	9	phonon	phonon	NOUN
bibechana-58405	57	10	dispersion	dispersion	NOUN
bibechana-58405	57	11	calculations	calculation	NOUN
bibechana-58405	57	12	using	use	VERB
bibechana-58405	57	13	density	density	NOUN
bibechana-58405	57	14	functional	functional	ADJ
bibechana-58405	57	15	perturbation	perturbation	NOUN
bibechana-58405	57	16	theory	theory	NOUN
bibechana-58405	57	17	(	(	PUNCT
bibechana-58405	57	18	dfpt	dfpt	NOUN
bibechana-58405	57	19	)	)	PUNCT
bibechana-58405	57	20	with	with	ADP
bibechana-58405	57	21	a	a	DET
bibechana-58405	57	22	2	2	NUM
bibechana-58405	57	23	×	×	NOUN
bibechana-58405	57	24	2	2	NUM
bibechana-58405	57	25	×	×	NOUN
bibechana-58405	57	26	2	2	NUM
bibechana-58405	57	27	q	q	ADJ
bibechana-58405	57	28	-	-	PUNCT
bibechana-58405	57	29	point	point	NOUN
bibechana-58405	57	30	mesh	mesh	NOUN
bibechana-58405	57	31	by	by	ADP
bibechana-58405	57	32	computing	compute	VERB
bibechana-58405	57	33	second	second	ADJ
bibechana-58405	57	34	-	-	PUNCT
bibechana-58405	57	35	order	order	NOUN
bibechana-58405	57	36	derivative	derivative	NOUN
bibechana-58405	57	37	of	of	ADP
bibechana-58405	57	38	the	the	DET
bibechana-58405	57	39	total	total	ADJ
bibechana-58405	57	40	energy	energy	NOUN
bibechana-58405	57	41	with	with	ADP
bibechana-58405	57	42	respect	respect	NOUN
bibechana-58405	57	43	to	to	ADP
bibechana-58405	57	44	atomic	atomic	ADJ
bibechana-58405	57	45	displacements	displacement	NOUN
bibechana-58405	57	46	.	.	PUNCT
bibechana-58405	58	1	the	the	DET
bibechana-58405	58	2	slack	slack	NOUN
bibechana-58405	58	3	’s	’s	PART
bibechana-58405	58	4	equation	equation	NOUN
bibechana-58405	58	5	was	be	AUX
bibechana-58405	58	6	used	use	VERB
bibechana-58405	58	7	for	for	ADP
bibechana-58405	58	8	calculating	calculate	VERB
bibechana-58405	58	9	κl	κl	ADV
bibechana-58405	58	10	with	with	ADP
bibechana-58405	58	11	velocity	velocity	NOUN
bibechana-58405	58	12	of	of	ADP
bibechana-58405	58	13	phonon	phonon	NOUN
bibechana-58405	58	14	determined	determine	VERB
bibechana-58405	58	15	using	use	VERB
bibechana-58405	58	16	two	two	NUM
bibechana-58405	58	17	different	different	ADJ
bibechana-58405	58	18	techniques	technique	NOUN
bibechana-58405	58	19	.	.	PUNCT
bibechana-58405	59	1	the	the	DET
bibechana-58405	59	2	first	first	ADJ
bibechana-58405	59	3	method	method	NOUN
bibechana-58405	59	4	involved	involve	VERB
bibechana-58405	59	5	the	the	DET
bibechana-58405	59	6	utilization	utilization	NOUN
bibechana-58405	59	7	the	the	DET
bibechana-58405	59	8	elastic	elastic	ADJ
bibechana-58405	59	9	parameters	parameter	NOUN
bibechana-58405	59	10	obtained	obtain	VERB
bibechana-58405	59	11	from	from	ADP
bibechana-58405	59	12	qha	qha	NOUN
bibechana-58405	59	13	implemented	implement	VERB
bibechana-58405	59	14	in	in	ADP
bibechana-58405	59	15	thermo_pw	thermo_pw	PROPN
bibechana-58405	59	16	codes	code	NOUN
bibechana-58405	59	17	.	.	PUNCT
bibechana-58405	60	1	on	on	ADP
bibechana-58405	60	2	the	the	DET
bibechana-58405	60	3	other	other	ADJ
bibechana-58405	60	4	hand	hand	NOUN
bibechana-58405	60	5	,	,	PUNCT
bibechana-58405	60	6	the	the	DET
bibechana-58405	60	7	second	second	ADJ
bibechana-58405	60	8	approach	approach	NOUN
bibechana-58405	60	9	employed	employ	VERB
bibechana-58405	60	10	the	the	DET
bibechana-58405	60	11	slopes	slope	NOUN
bibechana-58405	60	12	of	of	ADP
bibechana-58405	60	13	the	the	DET
bibechana-58405	60	14	longitudinal	longitudinal	ADJ
bibechana-58405	60	15	and	and	CCONJ
bibechana-58405	60	16	transverse	transverse	ADJ
bibechana-58405	60	17	components	component	NOUN
bibechana-58405	60	18	of	of	ADP
bibechana-58405	60	19	the	the	DET
bibechana-58405	60	20	acoustic	acoustic	ADJ
bibechana-58405	60	21	branches	branch	NOUN
bibechana-58405	60	22	in	in	ADP
bibechana-58405	60	23	the	the	DET
bibechana-58405	60	24	phonon	phonon	NOUN
bibechana-58405	60	25	dispersion	dispersion	NOUN
bibechana-58405	60	26	curve	curve	NOUN
bibechana-58405	60	27	.	.	PUNCT
bibechana-58405	61	1	3	3	NUM
bibechana-58405	61	2	results	result	NOUN
bibechana-58405	61	3	and	and	CCONJ
bibechana-58405	61	4	discussion	discussion	NOUN
bibechana-58405	61	5	3.1	3.1	NUM
bibechana-58405	61	6	structural	structural	ADJ
bibechana-58405	61	7	properties	property	NOUN
bibechana-58405	61	8	the	the	DET
bibechana-58405	61	9	xnisn	xnisn	PROPN
bibechana-58405	61	10	(	(	PUNCT
bibechana-58405	61	11	x	x	X
bibechana-58405	61	12	=	=	SYM
bibechana-58405	61	13	ti	ti	NOUN
bibechana-58405	61	14	,	,	PUNCT
bibechana-58405	61	15	zr	zr	PROPN
bibechana-58405	61	16	,	,	PUNCT
bibechana-58405	61	17	hf	hf	NOUN
bibechana-58405	61	18	)	)	PUNCT
bibechana-58405	61	19	half	half	ADJ
bibechana-58405	61	20	-	-	PUNCT
bibechana-58405	61	21	heusler	heusler	NOUN
bibechana-58405	61	22	compounds	compound	NOUN
bibechana-58405	61	23	are	be	AUX
bibechana-58405	61	24	extensively	extensively	ADV
bibechana-58405	61	25	studied	study	VERB
bibechana-58405	61	26	ternary	ternary	ADJ
bibechana-58405	61	27	intermetallics	intermetallic	NOUN
bibechana-58405	61	28	,	,	PUNCT
bibechana-58405	61	29	having	have	VERB
bibechana-58405	61	30	an	an	DET
bibechana-58405	61	31	edge	edge	NOUN
bibechana-58405	61	32	-	-	PUNCT
bibechana-58405	61	33	centered	center	VERB
bibechana-58405	61	34	cubic	cubic	ADJ
bibechana-58405	61	35	structure	structure	NOUN
bibechana-58405	61	36	with	with	ADP
bibechana-58405	61	37	a	a	DET
bibechana-58405	61	38	fundamental	fundamental	ADJ
bibechana-58405	61	39	composition	composition	NOUN
bibechana-58405	61	40	of	of	ADP
bibechana-58405	61	41	1:1:1	1:1:1	NUM
bibechana-58405	61	42	.	.	PUNCT
bibechana-58405	62	1	the	the	DET
bibechana-58405	62	2	structure	structure	NOUN
bibechana-58405	62	3	has	have	VERB
bibechana-58405	62	4	the	the	DET
bibechana-58405	62	5	specific	specific	ADJ
bibechana-58405	62	6	symmetry	symmetry	NOUN
bibechana-58405	62	7	of	of	ADP
bibechana-58405	62	8	f	f	PROPN
bibechana-58405	62	9	4̄	4̄	PROPN
bibechana-58405	62	10	3	3	NUM
bibechana-58405	62	11	m	m	NOUN
bibechana-58405	62	12	with	with	ADP
bibechana-58405	62	13	x	x	PROPN
bibechana-58405	62	14	element	element	NOUN
bibechana-58405	62	15	is	be	AUX
bibechana-58405	62	16	the	the	DET
bibechana-58405	62	17	most	most	ADV
bibechana-58405	62	18	electropositive	electropositive	ADJ
bibechana-58405	62	19	.	.	PUNCT
bibechana-58405	63	1	inside	inside	ADP
bibechana-58405	63	2	the	the	DET
bibechana-58405	63	3	unit	unit	NOUN
bibechana-58405	63	4	cell	cell	NOUN
bibechana-58405	63	5	of	of	ADP
bibechana-58405	63	6	these	these	DET
bibechana-58405	63	7	compounds	compound	NOUN
bibechana-58405	63	8	,	,	PUNCT
bibechana-58405	63	9	three	three	NUM
bibechana-58405	63	10	atoms	atom	NOUN
bibechana-58405	63	11	(	(	PUNCT
bibechana-58405	63	12	x	x	NOUN
bibechana-58405	63	13	,	,	PUNCT
bibechana-58405	63	14	ni	ni	PROPN
bibechana-58405	63	15	,	,	PUNCT
bibechana-58405	63	16	and	and	CCONJ
bibechana-58405	63	17	sn	sn	NOUN
bibechana-58405	63	18	)	)	PUNCT
bibechana-58405	63	19	are	be	AUX
bibechana-58405	63	20	situated	situate	VERB
bibechana-58405	63	21	at	at	ADP
bibechana-58405	63	22	specific	specific	ADJ
bibechana-58405	63	23	in	in	ADP
bibechana-58405	63	24	-	-	PUNCT
bibechana-58405	63	25	equivalent	equivalent	ADJ
bibechana-58405	63	26	wyckoff	wyckoff	PROPN
bibechana-58405	63	27	positions	position	NOUN
bibechana-58405	63	28	:	:	PUNCT
bibechana-58405	63	29	x	x	X
bibechana-58405	63	30	at	at	ADP
bibechana-58405	63	31	4a	4a	NUM
bibechana-58405	63	32	(	(	PUNCT
bibechana-58405	63	33	0	0	NUM
bibechana-58405	63	34	,	,	PUNCT
bibechana-58405	63	35	0	0	NUM
bibechana-58405	63	36	,	,	PUNCT
bibechana-58405	63	37	0	0	NUM
bibechana-58405	63	38	)	)	PUNCT
bibechana-58405	63	39	,	,	PUNCT
bibechana-58405	63	40	ni	ni	PROPN
bibechana-58405	63	41	at	at	ADP
bibechana-58405	63	42	4b	4b	PROPN
bibechana-58405	63	43	(	(	PUNCT
bibechana-58405	63	44	0.5	0.5	NUM
bibechana-58405	63	45	,	,	PUNCT
bibechana-58405	63	46	0.5	0.5	NUM
bibechana-58405	63	47	,	,	PUNCT
bibechana-58405	63	48	0.5	0.5	NUM
bibechana-58405	63	49	)	)	PUNCT
bibechana-58405	63	50	,	,	PUNCT
bibechana-58405	63	51	and	and	CCONJ
bibechana-58405	63	52	sn	sn	X
bibechana-58405	63	53	at	at	ADP
bibechana-58405	63	54	4c	4c	NOUN
bibechana-58405	63	55	(	(	PUNCT
bibechana-58405	63	56	0.25	0.25	NUM
bibechana-58405	63	57	,	,	PUNCT
bibechana-58405	63	58	0.25	0.25	NUM
bibechana-58405	63	59	,	,	PUNCT
bibechana-58405	63	60	0.25	0.25	NUM
bibechana-58405	63	61	)	)	PUNCT
bibechana-58405	63	62	as	as	SCONJ
bibechana-58405	63	63	shown	show	VERB
bibechana-58405	63	64	in	in	ADP
bibechana-58405	63	65	figure	figure	NOUN
bibechana-58405	63	66	1(a	1(a	NUM
bibechana-58405	63	67	)	)	PUNCT
bibechana-58405	63	68	and	and	CCONJ
bibechana-58405	63	69	1(b	1(b	NUM
bibechana-58405	63	70	)	)	PUNCT
bibechana-58405	63	71	.	.	PUNCT
bibechana-58405	64	1	we	we	PRON
bibechana-58405	64	2	have	have	AUX
bibechana-58405	64	3	calculated	calculate	VERB
bibechana-58405	64	4	the	the	DET
bibechana-58405	64	5	optimized	optimize	VERB
bibechana-58405	64	6	lattice	lattice	NOUN
bibechana-58405	64	7	parameters	parameter	NOUN
bibechana-58405	64	8	of	of	ADP
bibechana-58405	64	9	xnisn	xnisn	PROPN
bibechana-58405	64	10	(	(	PUNCT
bibechana-58405	64	11	x	x	X
bibechana-58405	64	12	=	=	SYM
bibechana-58405	64	13	ti	ti	NOUN
bibechana-58405	64	14	,	,	PUNCT
bibechana-58405	64	15	zr	zr	PROPN
bibechana-58405	64	16	,	,	PUNCT
bibechana-58405	64	17	hf	hf	NOUN
bibechana-58405	64	18	)	)	PUNCT
bibechana-58405	64	19	by	by	ADP
bibechana-58405	64	20	minimizing	minimize	VERB
bibechana-58405	64	21	total	total	ADJ
bibechana-58405	64	22	energy	energy	NOUN
bibechana-58405	64	23	of	of	ADP
bibechana-58405	64	24	crystal	crystal	NOUN
bibechana-58405	64	25	with	with	ADP
bibechana-58405	64	26	murnaghan	murnaghan	NOUN
bibechana-58405	64	27	’s	’s	PART
bibechana-58405	64	28	equation	equation	NOUN
bibechana-58405	64	29	of	of	ADP
bibechana-58405	64	30	state	state	NOUN
bibechana-58405	64	31	[	[	X
bibechana-58405	64	32	37	37	NUM
bibechana-58405	64	33	]	]	PUNCT
bibechana-58405	64	34	,	,	PUNCT
bibechana-58405	64	35	e(v	e(v	NOUN
bibechana-58405	64	36	)	)	PUNCT
bibechana-58405	65	1	=	=	SYM
bibechana-58405	65	2	e0	e0	PROPN
bibechana-58405	65	3	+	+	CCONJ
bibechana-58405	65	4	bv	bv	PROPN
bibechana-58405	65	5	b′	b′	PROPN
bibechana-58405	65	6	[	[	PUNCT
bibechana-58405	65	7	1	1	NUM
bibechana-58405	65	8	b′	b′	NUM
bibechana-58405	65	9	−	−	NOUN
bibechana-58405	65	10	1	1	NUM
bibechana-58405	65	11	(	(	PUNCT
bibechana-58405	65	12	v0	v0	NOUN
bibechana-58405	65	13	v	v	NOUN
bibechana-58405	65	14	)	)	PUNCT
bibechana-58405	65	15	b′	b′	NUM
bibechana-58405	65	16	+	+	CCONJ
bibechana-58405	65	17	1	1	NUM
bibechana-58405	65	18	]	]	PUNCT
bibechana-58405	65	19	(	(	PUNCT
bibechana-58405	65	20	2	2	X
bibechana-58405	65	21	)	)	PUNCT
bibechana-58405	65	22	in	in	ADP
bibechana-58405	65	23	the	the	DET
bibechana-58405	65	24	equation	equation	NOUN
bibechana-58405	65	25	b	b	NOUN
bibechana-58405	65	26	is	be	AUX
bibechana-58405	65	27	bulk	bulk	ADJ
bibechana-58405	65	28	modulus	modulus	NOUN
bibechana-58405	65	29	,	,	PUNCT
bibechana-58405	65	30	b	b	NOUN
bibechana-58405	65	31	’	'	PUNCT
bibechana-58405	65	32	is	be	AUX
bibechana-58405	65	33	first	first	ADJ
bibechana-58405	65	34	pressure	pressure	NOUN
bibechana-58405	65	35	derivative	derivative	NOUN
bibechana-58405	65	36	of	of	ADP
bibechana-58405	65	37	the	the	DET
bibechana-58405	65	38	bulk	bulk	ADJ
bibechana-58405	65	39	modulus	modulus	NOUN
bibechana-58405	65	40	that	that	PRON
bibechana-58405	65	41	corresponds	correspond	VERB
bibechana-58405	65	42	to	to	ADP
bibechana-58405	65	43	pressure	pressure	NOUN
bibechana-58405	65	44	of	of	ADP
bibechana-58405	65	45	p=0	p=0	PROPN
bibechana-58405	65	46	,	,	PUNCT
bibechana-58405	65	47	e0	e0	PROPN
bibechana-58405	65	48	is	be	AUX
bibechana-58405	65	49	the	the	DET
bibechana-58405	65	50	equilibrium	equilibrium	NOUN
bibechana-58405	65	51	energy	energy	NOUN
bibechana-58405	65	52	and	and	CCONJ
bibechana-58405	65	53	v0	v0	NOUN
bibechana-58405	65	54	is	be	AUX
bibechana-58405	65	55	the	the	DET
bibechana-58405	65	56	unit	unit	NOUN
bibechana-58405	65	57	-	-	PUNCT
bibechana-58405	65	58	cell	cell	NOUN
bibechana-58405	65	59	volume	volume	NOUN
bibechana-58405	65	60	that	that	PRON
bibechana-58405	65	61	corresponds	correspond	VERB
bibechana-58405	65	62	to	to	ADP
bibechana-58405	65	63	zero	zero	NUM
bibechana-58405	65	64	pressure	pressure	NOUN
bibechana-58405	65	65	.	.	PUNCT
bibechana-58405	66	1	the	the	DET
bibechana-58405	66	2	optimized	optimize	VERB
bibechana-58405	66	3	lattice	lattice	NOUN
bibechana-58405	66	4	constant	constant	ADJ
bibechana-58405	66	5	represents	represent	VERB
bibechana-58405	66	6	the	the	DET
bibechana-58405	66	7	minimum	minimum	ADJ
bibechana-58405	66	8	ground	ground	NOUN
bibechana-58405	66	9	state	state	NOUN
bibechana-58405	66	10	energy	energy	NOUN
bibechana-58405	66	11	,	,	PUNCT
bibechana-58405	66	12	signifying	signify	VERB
bibechana-58405	66	13	the	the	DET
bibechana-58405	66	14	crystal	crystal	NOUN
bibechana-58405	66	15	’s	’s	PART
bibechana-58405	66	16	most	most	ADV
bibechana-58405	66	17	stable	stable	ADJ
bibechana-58405	66	18	configuration	configuration	NOUN
bibechana-58405	66	19	.	.	PUNCT
bibechana-58405	67	1	figure	figure	NOUN
bibechana-58405	67	2	2(a	2(a	NUM
bibechana-58405	67	3	)	)	PUNCT
bibechana-58405	67	4	,	,	PUNCT
bibechana-58405	67	5	2(b	2(b	NUM
bibechana-58405	67	6	)	)	PUNCT
bibechana-58405	67	7	and	and	CCONJ
bibechana-58405	67	8	2(c	2(c	NUM
bibechana-58405	67	9	)	)	PUNCT
bibechana-58405	67	10	shows	show	VERB
bibechana-58405	67	11	the	the	DET
bibechana-58405	67	12	total	total	ADJ
bibechana-58405	67	13	energy	energy	NOUN
bibechana-58405	67	14	vs	vs	ADP
bibechana-58405	67	15	lattice	lattice	NOUN
bibechana-58405	67	16	parameter	parameter	NOUN
bibechana-58405	67	17	for	for	ADP
bibechana-58405	67	18	tinisn	tinisn	NOUN
bibechana-58405	67	19	,	,	PUNCT
bibechana-58405	67	20	zrnisn	zrnisn	NUM
bibechana-58405	67	21	and	and	CCONJ
bibechana-58405	67	22	hfnisn	hfnisn	VERB
bibechana-58405	67	23	respectively	respectively	ADV
bibechana-58405	67	24	.	.	PUNCT
bibechana-58405	68	1	the	the	DET
bibechana-58405	68	2	optimized	optimize	VERB
bibechana-58405	68	3	lattice	lattice	NOUN
bibechana-58405	68	4	constant	constant	ADJ
bibechana-58405	68	5	for	for	ADP
bibechana-58405	68	6	tinisn	tinisn	NOUN
bibechana-58405	68	7	,	,	PUNCT
bibechana-58405	68	8	zrnisn	zrnisn	NUM
bibechana-58405	68	9	and	and	CCONJ
bibechana-58405	68	10	hfnisn	hfnisn	ADJ
bibechana-58405	68	11	are	be	AUX
bibechana-58405	68	12	11.259	11.259	NUM
bibechana-58405	68	13	bohr	bohr	NOUN
bibechana-58405	68	14	(	(	PUNCT
bibechana-58405	68	15	5.958å	5.958å	NOUN
bibechana-58405	68	16	)	)	PUNCT
bibechana-58405	68	17	,	,	PUNCT
bibechana-58405	68	18	11.629	11.629	NUM
bibechana-58405	68	19	bohr	bohr	NOUN
bibechana-58405	68	20	(	(	PUNCT
bibechana-58405	68	21	6.154å	6.154å	NOUN
bibechana-58405	68	22	)	)	PUNCT
bibechana-58405	68	23	and	and	CCONJ
bibechana-58405	68	24	11.552	11.552	NUM
bibechana-58405	68	25	bohr	bohr	NOUN
bibechana-58405	68	26	(	(	PUNCT
bibechana-58405	68	27	6.113å	6.113å	NOUN
bibechana-58405	68	28	)	)	PUNCT
bibechana-58405	68	29	respectively	respectively	ADV
bibechana-58405	68	30	.	.	PUNCT
bibechana-58405	69	1	the	the	DET
bibechana-58405	69	2	hfnisn	hfnisn	PROPN
bibechana-58405	69	3	compound	compound	PROPN
bibechana-58405	69	4	exhibits	exhibit	VERB
bibechana-58405	69	5	smaller	small	ADJ
bibechana-58405	69	6	lattice	lattice	NOUN
bibechana-58405	69	7	parameters	parameter	NOUN
bibechana-58405	69	8	compared	compare	VERB
bibechana-58405	69	9	to	to	ADP
bibechana-58405	69	10	zrnisn	zrnisn	NUM
bibechana-58405	69	11	and	and	CCONJ
bibechana-58405	69	12	this	this	DET
bibechana-58405	69	13	difference	difference	NOUN
bibechana-58405	69	14	can	can	AUX
bibechana-58405	69	15	be	be	AUX
bibechana-58405	69	16	attributed	attribute	VERB
bibechana-58405	69	17	to	to	ADP
bibechana-58405	69	18	the	the	DET
bibechana-58405	69	19	lanthanide	lanthanide	ADJ
bibechana-58405	69	20	contraction	contraction	NOUN
bibechana-58405	69	21	phenomenon	phenomenon	NOUN
bibechana-58405	69	22	.	.	PUNCT
bibechana-58405	70	1	table	table	NOUN
bibechana-58405	70	2	1	1	NUM
bibechana-58405	70	3	.	.	PUNCT
bibechana-58405	70	4	presents	present	VERB
bibechana-58405	70	5	the	the	DET
bibechana-58405	70	6	optimized	optimize	VERB
bibechana-58405	70	7	lattice	lattice	NOUN
bibechana-58405	70	8	constants	constant	NOUN
bibechana-58405	70	9	for	for	ADP
bibechana-58405	70	10	xnisn	xnisn	PROPN
bibechana-58405	70	11	(	(	PUNCT
bibechana-58405	70	12	x=	x=	X
bibechana-58405	70	13	ti	ti	PROPN
bibechana-58405	70	14	,	,	PUNCT
bibechana-58405	70	15	zr	zr	NOUN
bibechana-58405	70	16	,	,	PUNCT
bibechana-58405	70	17	and	and	CCONJ
bibechana-58405	70	18	hf	hf	NOUN
bibechana-58405	70	19	)	)	PUNCT
bibechana-58405	70	20	along	along	ADP
bibechana-58405	70	21	with	with	ADP
bibechana-58405	70	22	the	the	DET
bibechana-58405	70	23	previously	previously	ADV
bibechana-58405	70	24	reported	report	VERB
bibechana-58405	70	25	experimental	experimental	ADJ
bibechana-58405	70	26	and	and	CCONJ
bibechana-58405	70	27	computational	computational	ADJ
bibechana-58405	70	28	data	datum	NOUN
bibechana-58405	70	29	.	.	PUNCT
bibechana-58405	71	1	the	the	DET
bibechana-58405	71	2	deviation	deviation	NOUN
bibechana-58405	71	3	of	of	ADP
bibechana-58405	71	4	our	our	PRON
bibechana-58405	71	5	calculated	calculated	ADJ
bibechana-58405	71	6	lattice	lattice	NOUN
bibechana-58405	71	7	parameter	parameter	NOUN
bibechana-58405	71	8	values	value	NOUN
bibechana-58405	71	9	from	from	ADP
bibechana-58405	71	10	that	that	PRON
bibechana-58405	71	11	in	in	ADP
bibechana-58405	71	12	experimental	experimental	ADJ
bibechana-58405	71	13	reports	report	NOUN
bibechana-58405	71	14	by	by	ADP
bibechana-58405	71	15	aliev	aliev	ADP
bibechana-58405	71	16	et	et	PROPN
bibechana-58405	71	17	al	al	PROPN
bibechana-58405	71	18	.	.	PUNCT
bibechana-58405	72	1	[	[	X
bibechana-58405	72	2	38	38	NUM
bibechana-58405	72	3	]	]	PUNCT
bibechana-58405	72	4	are	be	AUX
bibechana-58405	72	5	0.63	0.63	NUM
bibechana-58405	72	6	%	%	NOUN
bibechana-58405	72	7	,	,	PUNCT
bibechana-58405	72	8	0.71	0.71	NUM
bibechana-58405	72	9	%	%	NOUN
bibechana-58405	72	10	and	and	CCONJ
bibechana-58405	72	11	0.76	0.76	NUM
bibechana-58405	72	12	%	%	NOUN
bibechana-58405	72	13	for	for	ADP
bibechana-58405	72	14	tinisn	tinisn	NOUN
bibechana-58405	72	15	,	,	PUNCT
bibechana-58405	72	16	zrnisn	zrnisn	NUM
bibechana-58405	72	17	and	and	CCONJ
bibechana-58405	72	18	hfnisn	hfnisn	VERB
bibechana-58405	72	19	respectively	respectively	ADV
bibechana-58405	72	20	.	.	PUNCT
bibechana-58405	73	1	the	the	DET
bibechana-58405	73	2	calculated	calculate	VERB
bibechana-58405	73	3	lattice	lattice	NOUN
bibechana-58405	73	4	parameter	parameter	NOUN
bibechana-58405	73	5	values	value	NOUN
bibechana-58405	73	6	in	in	ADP
bibechana-58405	73	7	the	the	DET
bibechana-58405	73	8	present	present	ADJ
bibechana-58405	73	9	work	work	NOUN
bibechana-58405	73	10	agree	agree	VERB
bibechana-58405	73	11	with	with	ADP
bibechana-58405	73	12	the	the	DET
bibechana-58405	73	13	values	value	NOUN
bibechana-58405	73	14	in	in	ADP
bibechana-58405	73	15	computational	computational	ADJ
bibechana-58405	73	16	report	report	NOUN
bibechana-58405	73	17	by	by	ADP
bibechana-58405	73	18	öğüt	öğüt	PROPN
bibechana-58405	73	19	,	,	PUNCT
bibechana-58405	73	20	s.	s.	PROPN
bibechana-58405	73	21	,	,	PUNCT
bibechana-58405	73	22	rabe	rabe	NOUN
bibechana-58405	74	1	[	[	X
bibechana-58405	74	2	39	39	NUM
bibechana-58405	74	3	]	]	PUNCT
bibechana-58405	74	4	within	within	ADP
bibechana-58405	74	5	1.36%-2.66	1.36%-2.66	NUM
bibechana-58405	74	6	%	%	NOUN
bibechana-58405	74	7	,	,	PUNCT
bibechana-58405	74	8	j.	j.	PROPN
bibechana-58405	74	9	yang	yang	PROPN
bibechana-58405	74	10	et	et	PROPN
bibechana-58405	74	11	al	al	PROPN
bibechana-58405	74	12	.	.	PUNCT
bibechana-58405	75	1	[	[	X
bibechana-58405	75	2	40	40	NUM
bibechana-58405	75	3	]	]	PUNCT
bibechana-58405	75	4	within	within	ADP
bibechana-58405	75	5	0.47%-0.66	0.47%-0.66	NOUN
bibechana-58405	75	6	%	%	NOUN
bibechana-58405	75	7	and	and	CCONJ
bibechana-58405	75	8	muta	muta	PROPN
bibechana-58405	75	9	et	et	PROPN
bibechana-58405	75	10	al	al	PROPN
bibechana-58405	75	11	.	.	PUNCT
bibechana-58405	76	1	[	[	X
bibechana-58405	76	2	26	26	NUM
bibechana-58405	76	3	]	]	PUNCT
bibechana-58405	76	4	within	within	ADP
bibechana-58405	76	5	0.47%-0.71	0.47%-0.71	NOUN
bibechana-58405	76	6	%	%	NOUN
bibechana-58405	76	7	.	.	PUNCT
bibechana-58405	77	1	all	all	DET
bibechana-58405	77	2	the	the	DET
bibechana-58405	77	3	variation	variation	NOUN
bibechana-58405	77	4	in	in	ADP
bibechana-58405	77	5	lattice	lattice	NOUN
bibechana-58405	77	6	parameters	parameter	NOUN
bibechana-58405	77	7	are	be	AUX
bibechana-58405	77	8	≤	≤	NOUN
bibechana-58405	77	9	2.66	2.66	NUM
bibechana-58405	77	10	%	%	NOUN
bibechana-58405	77	11	and	and	CCONJ
bibechana-58405	77	12	the	the	DET
bibechana-58405	77	13	variation	variation	NOUN
bibechana-58405	77	14	could	could	AUX
bibechana-58405	77	15	be	be	AUX
bibechana-58405	77	16	attributed	attribute	VERB
bibechana-58405	77	17	due	due	ADP
bibechana-58405	77	18	to	to	ADP
bibechana-58405	77	19	the	the	DET
bibechana-58405	77	20	choice	choice	NOUN
bibechana-58405	77	21	of	of	ADP
bibechana-58405	77	22	exchange	exchange	NOUN
bibechana-58405	77	23	-	-	PUNCT
bibechana-58405	77	24	correlation	correlation	NOUN
bibechana-58405	77	25	functional	functional	ADJ
bibechana-58405	77	26	utilized	utilize	VERB
bibechana-58405	77	27	in	in	ADP
bibechana-58405	77	28	the	the	DET
bibechana-58405	77	29	studies	study	NOUN
bibechana-58405	77	30	.	.	PUNCT
bibechana-58405	78	1	figure	figure	VERB
bibechana-58405	78	2	1	1	NUM
bibechana-58405	78	3	:	:	PUNCT
bibechana-58405	78	4	(	(	PUNCT
bibechana-58405	78	5	a	a	X
bibechana-58405	78	6	)	)	PUNCT
bibechana-58405	78	7	conventional	conventional	ADJ
bibechana-58405	78	8	unit	unit	NOUN
bibechana-58405	78	9	cell	cell	NOUN
bibechana-58405	78	10	of	of	ADP
bibechana-58405	78	11	xnisn	xnisn	PROPN
bibechana-58405	78	12	(	(	PUNCT
bibechana-58405	78	13	x	x	X
bibechana-58405	78	14	=	=	SYM
bibechana-58405	78	15	ti	ti	NOUN
bibechana-58405	78	16	,	,	PUNCT
bibechana-58405	78	17	zr	zr	PROPN
bibechana-58405	78	18	,	,	PUNCT
bibechana-58405	78	19	hf	hf	NOUN
bibechana-58405	78	20	)	)	PUNCT
bibechana-58405	78	21	,	,	PUNCT
bibechana-58405	78	22	(	(	PUNCT
bibechana-58405	78	23	b	b	X
bibechana-58405	78	24	)	)	PUNCT
bibechana-58405	78	25	primitive	primitive	ADJ
bibechana-58405	78	26	unit	unit	NOUN
bibechana-58405	78	27	cell	cell	NOUN
bibechana-58405	78	28	of	of	ADP
bibechana-58405	78	29	xnisn	xnisn	PROPN
bibechana-58405	78	30	(	(	PUNCT
bibechana-58405	78	31	x	x	X
bibechana-58405	78	32	=	=	SYM
bibechana-58405	78	33	ti	ti	NOUN
bibechana-58405	78	34	,	,	PUNCT
bibechana-58405	78	35	zr	zr	PROPN
bibechana-58405	78	36	,	,	PUNCT
bibechana-58405	78	37	hf	hf	NOUN
bibechana-58405	78	38	)	)	PUNCT
bibechana-58405	78	39	.	.	PUNCT
bibechana-58405	79	1	the	the	DET
bibechana-58405	79	2	blue	blue	ADJ
bibechana-58405	79	3	,	,	PUNCT
bibechana-58405	79	4	red	red	ADJ
bibechana-58405	79	5	,	,	PUNCT
bibechana-58405	79	6	and	and	CCONJ
bibechana-58405	79	7	green	green	ADJ
bibechana-58405	79	8	colors	color	NOUN
bibechana-58405	79	9	in	in	ADP
bibechana-58405	79	10	both	both	DET
bibechana-58405	79	11	figures	figure	NOUN
bibechana-58405	79	12	represent	represent	VERB
bibechana-58405	79	13	x	x	PROPN
bibechana-58405	79	14	,	,	PUNCT
bibechana-58405	79	15	ni	ni	PROPN
bibechana-58405	79	16	,	,	PUNCT
bibechana-58405	79	17	and	and	CCONJ
bibechana-58405	79	18	sn	sn	PROPN
bibechana-58405	79	19	,	,	PUNCT
bibechana-58405	79	20	respectively	respectively	ADV
bibechana-58405	79	21	visualized	visualize	VERB
bibechana-58405	79	22	by	by	ADP
bibechana-58405	79	23	xcrysden	xcrysden	PROPN
bibechana-58405	79	24	.	.	PUNCT
bibechana-58405	80	1	(	(	PUNCT
bibechana-58405	80	2	c	c	X
bibechana-58405	80	3	)	)	PUNCT
bibechana-58405	80	4	brillouin	brillouin	NOUN
bibechana-58405	80	5	zone	zone	NOUN
bibechana-58405	80	6	locating	locate	VERB
bibechana-58405	80	7	symmetric	symmetric	ADJ
bibechana-58405	80	8	points	point	NOUN
bibechana-58405	80	9	.	.	PUNCT
bibechana-58405	81	1	prakash	prakash	PROPN
bibechana-58405	81	2	khatri	khatri	PROPN
bibechana-58405	81	3	and	and	CCONJ
bibechana-58405	81	4	n.	n.	PROPN
bibechana-58405	81	5	p.	p.	NOUN
bibechana-58405	82	1	adhikari/	adhikari/	NUM
bibechana-58405	82	2	bibechana	bibechana	NOUN
bibechana-58405	82	3	21	21	NUM
bibechana-58405	82	4	(	(	PUNCT
bibechana-58405	82	5	2024	2024	NUM
bibechana-58405	82	6	)	)	PUNCT
bibechana-58405	82	7	12	12	NUM
bibechana-58405	82	8	-	-	SYM
bibechana-58405	82	9	22	22	NUM
bibechana-58405	82	10	15	15	NUM
bibechana-58405	82	11	figure	figure	NOUN
bibechana-58405	82	12	2	2	NUM
bibechana-58405	82	13	:	:	PUNCT
bibechana-58405	82	14	total	total	ADJ
bibechana-58405	82	15	energy	energy	NOUN
bibechana-58405	82	16	(	(	PUNCT
bibechana-58405	82	17	in	in	ADP
bibechana-58405	82	18	rydberg	rydberg	PROPN
bibechana-58405	82	19	)	)	PUNCT
bibechana-58405	82	20	vs	vs	ADP
bibechana-58405	82	21	lattice	lattice	NOUN
bibechana-58405	82	22	parameter	parameter	NOUN
bibechana-58405	82	23	(	(	PUNCT
bibechana-58405	82	24	in	in	ADP
bibechana-58405	82	25	bohr	bohr	PROPN
bibechana-58405	82	26	)	)	PUNCT
bibechana-58405	82	27	for	for	ADP
bibechana-58405	82	28	(	(	PUNCT
bibechana-58405	82	29	a	a	PRON
bibechana-58405	82	30	)	)	PUNCT
bibechana-58405	82	31	tinisn	tinisn	NOUN
bibechana-58405	82	32	(	(	PUNCT
bibechana-58405	82	33	b	b	NOUN
bibechana-58405	82	34	)	)	PUNCT
bibechana-58405	82	35	zrnisn	zrnisn	PROPN
bibechana-58405	82	36	(	(	PUNCT
bibechana-58405	82	37	c	c	NOUN
bibechana-58405	82	38	)	)	PUNCT
bibechana-58405	82	39	hfnisn	hfnisn	VERB
bibechana-58405	82	40	.	.	PROPN
bibechana-58405	82	41	table	table	NOUN
bibechana-58405	82	42	1	1	NUM
bibechana-58405	82	43	:	:	PUNCT
bibechana-58405	82	44	comparison	comparison	NOUN
bibechana-58405	82	45	of	of	ADP
bibechana-58405	82	46	calculated	calculated	ADJ
bibechana-58405	82	47	lattice	lattice	NOUN
bibechana-58405	82	48	parameter	parameter	NOUN
bibechana-58405	82	49	(	(	PUNCT
bibechana-58405	82	50	in	in	ADP
bibechana-58405	82	51	å	å	NOUN
bibechana-58405	82	52	)	)	PUNCT
bibechana-58405	82	53	of	of	ADP
bibechana-58405	82	54	xnisn	xnisn	PROPN
bibechana-58405	82	55	(	(	PUNCT
bibechana-58405	82	56	x	x	X
bibechana-58405	82	57	=	=	SYM
bibechana-58405	82	58	ti	ti	NOUN
bibechana-58405	82	59	,	,	PUNCT
bibechana-58405	82	60	zr	zr	PROPN
bibechana-58405	82	61	,	,	PUNCT
bibechana-58405	82	62	hf	hf	NOUN
bibechana-58405	82	63	)	)	PUNCT
bibechana-58405	82	64	with	with	ADP
bibechana-58405	82	65	experimental	experimental	ADJ
bibechana-58405	82	66	and	and	CCONJ
bibechana-58405	82	67	computational	computational	ADJ
bibechana-58405	82	68	results	result	NOUN
bibechana-58405	82	69	in	in	ADP
bibechana-58405	82	70	literature	literature	NOUN
bibechana-58405	82	71	.	.	PUNCT
bibechana-58405	83	1	compound	compound	VERB
bibechana-58405	83	2	our	our	PRON
bibechana-58405	83	3	work	work	NOUN
bibechana-58405	83	4	aliev	aliev	ADP
bibechana-58405	83	5	et	et	PROPN
bibechana-58405	83	6	al.[38	al.[38	PROPN
bibechana-58405	83	7	]	]	PUNCT
bibechana-58405	83	8	öğüt	öğüt	PROPN
bibechana-58405	83	9	,	,	PUNCT
bibechana-58405	83	10	s.	s.	PROPN
bibechana-58405	83	11	,	,	PUNCT
bibechana-58405	83	12	&	&	CCONJ
bibechana-58405	83	13	rabe[39	rabe[39	PROPN
bibechana-58405	83	14	]	]	PUNCT
bibechana-58405	83	15	j.	j.	PROPN
bibechana-58405	83	16	yang	yang	PROPN
bibechana-58405	83	17	et	et	PROPN
bibechana-58405	83	18	al.[40	al.[40	PROPN
bibechana-58405	83	19	]	]	PUNCT
bibechana-58405	83	20	muta	muta	PROPN
bibechana-58405	83	21	et	et	PROPN
bibechana-58405	83	22	al.[26	al.[26	PROPN
bibechana-58405	83	23	]	]	PUNCT
bibechana-58405	83	24	tinisn	tinisn	NOUN
bibechana-58405	83	25	5.958	5.958	NUM
bibechana-58405	83	26	5.920	5.920	NUM
bibechana-58405	83	27	5.814	5.814	NUM
bibechana-58405	83	28	5.921	5.921	NUM
bibechana-58405	83	29	5.930	5.930	NUM
bibechana-58405	83	30	zrnisn	zrnisn	NOUN
bibechana-58405	83	31	6.154	6.154	NUM
bibechana-58405	83	32	6.110	6.110	NUM
bibechana-58405	83	33	6.070	6.070	NUM
bibechana-58405	83	34	6.113	6.113	NUM
bibechana-58405	83	35	6.110	6.110	NUM
bibechana-58405	83	36	hfnisn	hfnisn	VERB
bibechana-58405	83	37	6.113	6.113	NUM
bibechana-58405	83	38	6.066	6.066	NUM
bibechana-58405	83	39	5.950	5.950	NUM
bibechana-58405	83	40	6.084	6.084	NUM
bibechana-58405	83	41	6.080	6.080	NUM
bibechana-58405	83	42	3.2	3.2	NUM
bibechana-58405	83	43	electronic	electronic	ADJ
bibechana-58405	83	44	and	and	CCONJ
bibechana-58405	83	45	magnetic	magnetic	ADJ
bibechana-58405	83	46	properties	property	NOUN
bibechana-58405	83	47	we	we	PRON
bibechana-58405	83	48	have	have	AUX
bibechana-58405	83	49	studied	study	VERB
bibechana-58405	83	50	the	the	DET
bibechana-58405	83	51	band	band	NOUN
bibechana-58405	83	52	structures	structure	NOUN
bibechana-58405	83	53	of	of	ADP
bibechana-58405	83	54	xnisn	xnisn	PROPN
bibechana-58405	83	55	(	(	PUNCT
bibechana-58405	83	56	x	x	X
bibechana-58405	83	57	=	=	SYM
bibechana-58405	83	58	ti	ti	NOUN
bibechana-58405	83	59	,	,	PUNCT
bibechana-58405	83	60	zr	zr	PROPN
bibechana-58405	83	61	,	,	PUNCT
bibechana-58405	83	62	hf	hf	NOUN
bibechana-58405	83	63	)	)	PUNCT
bibechana-58405	83	64	using	use	VERB
bibechana-58405	83	65	gga	gga	ADJ
bibechana-58405	83	66	-	-	PUNCT
bibechana-58405	83	67	pbe	pbe	NOUN
bibechana-58405	83	68	exchangecorrelation	exchangecorrelation	NOUN
bibechana-58405	83	69	functional	functional	ADJ
bibechana-58405	83	70	as	as	SCONJ
bibechana-58405	83	71	shown	show	VERB
bibechana-58405	83	72	in	in	ADP
bibechana-58405	83	73	figures	figure	NOUN
bibechana-58405	83	74	3(a	3(a	NUM
bibechana-58405	83	75	)	)	PUNCT
bibechana-58405	83	76	,	,	PUNCT
bibechana-58405	83	77	3(b	3(b	NUM
bibechana-58405	83	78	)	)	PUNCT
bibechana-58405	83	79	and	and	CCONJ
bibechana-58405	83	80	3(c	3(c	NUM
bibechana-58405	83	81	)	)	PUNCT
bibechana-58405	83	82	.	.	PUNCT
bibechana-58405	84	1	from	from	ADP
bibechana-58405	84	2	computed	compute	VERB
bibechana-58405	84	3	band	band	NOUN
bibechana-58405	84	4	structure	structure	NOUN
bibechana-58405	84	5	of	of	ADP
bibechana-58405	84	6	xnisn	xnisn	PROPN
bibechana-58405	84	7	compounds	compound	NOUN
bibechana-58405	84	8	,	,	PUNCT
bibechana-58405	84	9	all	all	DET
bibechana-58405	84	10	the	the	DET
bibechana-58405	84	11	compounds	compound	NOUN
bibechana-58405	84	12	exhibit	exhibit	VERB
bibechana-58405	84	13	a	a	DET
bibechana-58405	84	14	semiconductor	semiconductor	NOUN
bibechana-58405	84	15	nature	nature	NOUN
bibechana-58405	84	16	with	with	ADP
bibechana-58405	84	17	an	an	DET
bibechana-58405	84	18	indirect	indirect	ADJ
bibechana-58405	84	19	band	band	NOUN
bibechana-58405	84	20	gap	gap	NOUN
bibechana-58405	84	21	.	.	PUNCT
bibechana-58405	85	1	the	the	DET
bibechana-58405	85	2	position	position	NOUN
bibechana-58405	85	3	of	of	ADP
bibechana-58405	85	4	the	the	DET
bibechana-58405	85	5	conduction	conduction	NOUN
bibechana-58405	85	6	band	band	NOUN
bibechana-58405	85	7	minimum	minimum	NOUN
bibechana-58405	85	8	(	(	PUNCT
bibechana-58405	85	9	cbm	cbm	PROPN
bibechana-58405	85	10	)	)	PUNCT
bibechana-58405	85	11	is	be	AUX
bibechana-58405	85	12	at	at	ADP
bibechana-58405	85	13	the	the	DET
bibechana-58405	85	14	x	x	NOUN
bibechana-58405	85	15	point	point	NOUN
bibechana-58405	85	16	of	of	ADP
bibechana-58405	85	17	the	the	DET
bibechana-58405	85	18	brillouin	brillouin	NOUN
bibechana-58405	85	19	zone	zone	NOUN
bibechana-58405	85	20	(	(	PUNCT
bibechana-58405	85	21	bz	bz	PROPN
bibechana-58405	85	22	)	)	PUNCT
bibechana-58405	85	23	,	,	PUNCT
bibechana-58405	85	24	while	while	SCONJ
bibechana-58405	85	25	the	the	DET
bibechana-58405	85	26	valence	valence	NOUN
bibechana-58405	85	27	band	band	NOUN
bibechana-58405	85	28	maximum	maximum	ADJ
bibechana-58405	85	29	(	(	PUNCT
bibechana-58405	85	30	vbm	vbm	PROPN
bibechana-58405	85	31	)	)	PUNCT
bibechana-58405	85	32	is	be	AUX
bibechana-58405	85	33	at	at	ADP
bibechana-58405	85	34	the	the	DET
bibechana-58405	85	35	γ	γ	NOUN
bibechana-58405	85	36	point	point	NOUN
bibechana-58405	85	37	of	of	ADP
bibechana-58405	85	38	the	the	DET
bibechana-58405	85	39	bz	bz	PROPN
bibechana-58405	85	40	.	.	PUNCT
bibechana-58405	86	1	the	the	DET
bibechana-58405	86	2	tinisn	tinisn	NOUN
bibechana-58405	86	3	,	,	PUNCT
bibechana-58405	86	4	zrnisn	zrnisn	PROPN
bibechana-58405	86	5	,	,	PUNCT
bibechana-58405	86	6	and	and	CCONJ
bibechana-58405	86	7	hfnisn	hfnisn	ADJ
bibechana-58405	86	8	compounds	compound	NOUN
bibechana-58405	86	9	exhibit	exhibit	VERB
bibechana-58405	86	10	band	band	NOUN
bibechana-58405	86	11	gaps	gap	NOUN
bibechana-58405	86	12	(	(	PUNCT
bibechana-58405	86	13	eg	eg	NOUN
bibechana-58405	86	14	)	)	PUNCT
bibechana-58405	86	15	of	of	ADP
bibechana-58405	86	16	0.43	0.43	NUM
bibechana-58405	86	17	ev	ev	NOUN
bibechana-58405	86	18	,	,	PUNCT
bibechana-58405	86	19	0.47	0.47	NUM
bibechana-58405	86	20	ev	ev	NOUN
bibechana-58405	86	21	,	,	PUNCT
bibechana-58405	86	22	and	and	CCONJ
bibechana-58405	86	23	0.39	0.39	NUM
bibechana-58405	86	24	ev	ev	NOUN
bibechana-58405	86	25	,	,	PUNCT
bibechana-58405	86	26	respectively	respectively	ADV
bibechana-58405	86	27	.	.	PUNCT
bibechana-58405	87	1	the	the	DET
bibechana-58405	87	2	calculated	calculate	VERB
bibechana-58405	87	3	band	band	NOUN
bibechana-58405	87	4	gap	gap	NOUN
bibechana-58405	87	5	values	value	NOUN
bibechana-58405	87	6	agree	agree	VERB
bibechana-58405	87	7	with	with	ADP
bibechana-58405	87	8	the	the	DET
bibechana-58405	87	9	values	value	NOUN
bibechana-58405	87	10	in	in	ADP
bibechana-58405	87	11	computational	computational	ADJ
bibechana-58405	87	12	report	report	NOUN
bibechana-58405	87	13	by	by	ADP
bibechana-58405	87	14	öğüt	öğüt	PROPN
bibechana-58405	87	15	,	,	PUNCT
bibechana-58405	87	16	s.	s.	PROPN
bibechana-58405	87	17	,	,	PUNCT
bibechana-58405	87	18	&	&	CCONJ
bibechana-58405	87	19	rabe	rabe	NOUN
bibechana-58405	87	20	[	[	X
bibechana-58405	87	21	39	39	NUM
bibechana-58405	87	22	]	]	PUNCT
bibechana-58405	87	23	within	within	ADP
bibechana-58405	87	24	8.51%-23.07	8.51%-23.07	NUM
bibechana-58405	87	25	%	%	NOUN
bibechana-58405	87	26	,	,	PUNCT
bibechana-58405	87	27	j.	j.	PROPN
bibechana-58405	87	28	yang	yang	PROPN
bibechana-58405	87	29	et	et	PROPN
bibechana-58405	87	30	al	al	PROPN
bibechana-58405	87	31	.	.	PUNCT
bibechana-58405	88	1	[	[	X
bibechana-58405	88	2	40	40	NUM
bibechana-58405	88	3	]	]	PUNCT
bibechana-58405	88	4	within	within	ADP
bibechana-58405	88	5	0.00%-8.51	0.00%-8.51	PROPN
bibechana-58405	88	6	%	%	NOUN
bibechana-58405	88	7	and	and	CCONJ
bibechana-58405	88	8	zou	zou	PROPN
bibechana-58405	88	9	et	et	PROPN
bibechana-58405	88	10	al	al	PROPN
bibechana-58405	88	11	.	.	PUNCT
bibechana-58405	89	1	[	[	X
bibechana-58405	89	2	41	41	NUM
bibechana-58405	89	3	]	]	PUNCT
bibechana-58405	89	4	within	within	ADP
bibechana-58405	89	5	7.69%-10.64	7.69%-10.64	NUM
bibechana-58405	89	6	%	%	NOUN
bibechana-58405	89	7	as	as	SCONJ
bibechana-58405	89	8	shown	show	VERB
bibechana-58405	89	9	in	in	ADP
bibechana-58405	89	10	table	table	NOUN
bibechana-58405	89	11	2	2	NUM
bibechana-58405	89	12	.	.	PUNCT
bibechana-58405	90	1	these	these	DET
bibechana-58405	90	2	deviations	deviation	NOUN
bibechana-58405	90	3	might	might	AUX
bibechana-58405	90	4	be	be	AUX
bibechana-58405	90	5	because	because	SCONJ
bibechana-58405	90	6	of	of	ADP
bibechana-58405	90	7	the	the	DET
bibechana-58405	90	8	different	different	ADJ
bibechana-58405	90	9	exchange	exchange	NOUN
bibechana-58405	90	10	correlation	correlation	NOUN
bibechana-58405	90	11	functional	functional	ADJ
bibechana-58405	90	12	used	use	VERB
bibechana-58405	90	13	in	in	ADP
bibechana-58405	90	14	the	the	DET
bibechana-58405	90	15	calculations	calculation	NOUN
bibechana-58405	90	16	in	in	ADP
bibechana-58405	90	17	different	different	ADJ
bibechana-58405	90	18	studies	study	NOUN
bibechana-58405	90	19	.	.	PUNCT
bibechana-58405	91	1	in	in	ADP
bibechana-58405	91	2	general	general	ADJ
bibechana-58405	91	3	,	,	PUNCT
bibechana-58405	91	4	dft	dft	PROPN
bibechana-58405	91	5	underestimates	underestimate	VERB
bibechana-58405	91	6	the	the	DET
bibechana-58405	91	7	band	band	NOUN
bibechana-58405	91	8	gaps	gap	NOUN
bibechana-58405	91	9	.	.	PUNCT
bibechana-58405	92	1	however	however	ADV
bibechana-58405	92	2	,	,	PUNCT
bibechana-58405	92	3	in	in	ADP
bibechana-58405	92	4	these	these	DET
bibechana-58405	92	5	compounds	compound	NOUN
bibechana-58405	92	6	,	,	PUNCT
bibechana-58405	92	7	the	the	DET
bibechana-58405	92	8	experimental	experimental	ADJ
bibechana-58405	92	9	band	band	NOUN
bibechana-58405	92	10	gap	gap	NOUN
bibechana-58405	92	11	value	value	NOUN
bibechana-58405	92	12	reported	report	VERB
bibechana-58405	92	13	in	in	ADP
bibechana-58405	92	14	aliev	aliev	ADP
bibechana-58405	92	15	et	et	PROPN
bibechana-58405	92	16	al	al	PROPN
bibechana-58405	92	17	.	.	PUNCT
bibechana-58405	93	1	[	[	X
bibechana-58405	93	2	38	38	NUM
bibechana-58405	93	3	]	]	PUNCT
bibechana-58405	93	4	is	be	AUX
bibechana-58405	93	5	smaller	small	ADJ
bibechana-58405	93	6	than	than	ADP
bibechana-58405	93	7	the	the	DET
bibechana-58405	93	8	calculated	calculate	VERB
bibechana-58405	93	9	value	value	NOUN
bibechana-58405	93	10	.	.	PUNCT
bibechana-58405	94	1	this	this	DET
bibechana-58405	94	2	difference	difference	NOUN
bibechana-58405	94	3	is	be	AUX
bibechana-58405	94	4	because	because	SCONJ
bibechana-58405	94	5	of	of	ADP
bibechana-58405	94	6	the	the	DET
bibechana-58405	94	7	formation	formation	NOUN
bibechana-58405	94	8	of	of	ADP
bibechana-58405	94	9	an	an	DET
bibechana-58405	94	10	impurity	impurity	NOUN
bibechana-58405	94	11	band	band	NOUN
bibechana-58405	94	12	within	within	ADP
bibechana-58405	94	13	the	the	DET
bibechana-58405	94	14	gap	gap	NOUN
bibechana-58405	94	15	,	,	PUNCT
bibechana-58405	94	16	which	which	PRON
bibechana-58405	94	17	occurs	occur	VERB
bibechana-58405	94	18	due	due	ADP
bibechana-58405	94	19	to	to	ADP
bibechana-58405	94	20	the	the	DET
bibechana-58405	94	21	presence	presence	NOUN
bibechana-58405	94	22	of	of	ADP
bibechana-58405	94	23	ni	ni	ADJ
bibechana-58405	94	24	-	-	ADJ
bibechana-58405	94	25	interstitial	interstitial	ADJ
bibechana-58405	94	26	atoms	atom	NOUN
bibechana-58405	94	27	[	[	X
bibechana-58405	94	28	42	42	NUM
bibechana-58405	94	29	]	]	PUNCT
bibechana-58405	94	30	.	.	PUNCT
bibechana-58405	95	1	density	density	NOUN
bibechana-58405	95	2	of	of	ADP
bibechana-58405	95	3	states	state	NOUN
bibechana-58405	95	4	(	(	PUNCT
bibechana-58405	95	5	dos	dos	PROPN
bibechana-58405	95	6	)	)	PUNCT
bibechana-58405	95	7	and	and	CCONJ
bibechana-58405	95	8	partial	partial	ADJ
bibechana-58405	95	9	density	density	NOUN
bibechana-58405	95	10	of	of	ADP
bibechana-58405	95	11	states	state	NOUN
bibechana-58405	95	12	(	(	PUNCT
bibechana-58405	95	13	pdos	pdo	NOUN
bibechana-58405	95	14	)	)	PUNCT
bibechana-58405	95	15	plots	plot	NOUN
bibechana-58405	95	16	revealing	reveal	VERB
bibechana-58405	95	17	the	the	DET
bibechana-58405	95	18	distribution	distribution	NOUN
bibechana-58405	95	19	of	of	ADP
bibechana-58405	95	20	electrons	electron	NOUN
bibechana-58405	95	21	among	among	ADP
bibechana-58405	95	22	atomic	atomic	ADJ
bibechana-58405	95	23	orbitals	orbital	NOUN
bibechana-58405	95	24	are	be	AUX
bibechana-58405	95	25	crucial	crucial	ADJ
bibechana-58405	95	26	tools	tool	NOUN
bibechana-58405	95	27	for	for	ADP
bibechana-58405	95	28	understanding	understand	VERB
bibechana-58405	95	29	the	the	DET
bibechana-58405	95	30	electronic	electronic	ADJ
bibechana-58405	95	31	and	and	CCONJ
bibechana-58405	95	32	magnetic	magnetic	ADJ
bibechana-58405	95	33	properties	property	NOUN
bibechana-58405	95	34	of	of	ADP
bibechana-58405	95	35	materials	material	NOUN
bibechana-58405	95	36	.	.	PUNCT
bibechana-58405	96	1	the	the	DET
bibechana-58405	96	2	main	main	ADJ
bibechana-58405	96	3	contribution	contribution	NOUN
bibechana-58405	96	4	to	to	ADP
bibechana-58405	96	5	the	the	DET
bibechana-58405	96	6	dos	do	NOUN
bibechana-58405	96	7	of	of	ADP
bibechana-58405	96	8	xnisn	xnisn	PROPN
bibechana-58405	96	9	near	near	ADP
bibechana-58405	96	10	the	the	DET
bibechana-58405	96	11	fermi	fermi	NOUN
bibechana-58405	96	12	level	level	NOUN
bibechana-58405	96	13	arises	arise	VERB
bibechana-58405	96	14	from	from	ADP
bibechana-58405	96	15	the	the	DET
bibechana-58405	96	16	3d	3d	NOUN
bibechana-58405	96	17	orbitals	orbital	NOUN
bibechana-58405	96	18	of	of	ADP
bibechana-58405	96	19	ni	ni	PROPN
bibechana-58405	96	20	in	in	ADP
bibechana-58405	96	21	the	the	DET
bibechana-58405	96	22	valence	valence	NOUN
bibechana-58405	96	23	band	band	NOUN
bibechana-58405	96	24	(	(	PUNCT
bibechana-58405	96	25	vb	vb	NOUN
bibechana-58405	96	26	)	)	PUNCT
bibechana-58405	96	27	,	,	PUNCT
bibechana-58405	96	28	while	while	SCONJ
bibechana-58405	96	29	it	it	PRON
bibechana-58405	96	30	comes	come	VERB
bibechana-58405	96	31	from	from	ADP
bibechana-58405	96	32	the	the	DET
bibechana-58405	96	33	3d/4d/5d	3d/4d/5d	PROPN
bibechana-58405	96	34	orbitals	orbital	NOUN
bibechana-58405	96	35	of	of	ADP
bibechana-58405	96	36	ti	ti	NOUN
bibechana-58405	96	37	,	,	PUNCT
bibechana-58405	96	38	zr	zr	NOUN
bibechana-58405	96	39	,	,	PUNCT
bibechana-58405	96	40	and	and	CCONJ
bibechana-58405	96	41	hf	hf	NOUN
bibechana-58405	96	42	,	,	PUNCT
bibechana-58405	96	43	respectively	respectively	ADV
bibechana-58405	96	44	in	in	ADP
bibechana-58405	96	45	the	the	DET
bibechana-58405	96	46	conduction	conduction	NOUN
bibechana-58405	96	47	band	band	NOUN
bibechana-58405	96	48	(	(	PUNCT
bibechana-58405	96	49	cb	cb	PROPN
bibechana-58405	96	50	)	)	PUNCT
bibechana-58405	96	51	.	.	PUNCT
bibechana-58405	97	1	the	the	DET
bibechana-58405	97	2	sn5p	sn5p	VERB
bibechana-58405	97	3	orbitals	orbital	NOUN
bibechana-58405	97	4	play	play	VERB
bibechana-58405	97	5	a	a	DET
bibechana-58405	97	6	minor	minor	ADJ
bibechana-58405	97	7	role	role	NOUN
bibechana-58405	97	8	in	in	ADP
bibechana-58405	97	9	both	both	CCONJ
bibechana-58405	97	10	the	the	DET
bibechana-58405	97	11	vb	vb	NOUN
bibechana-58405	97	12	and	and	CCONJ
bibechana-58405	97	13	cb	cb	PROPN
bibechana-58405	97	14	of	of	ADP
bibechana-58405	97	15	the	the	DET
bibechana-58405	97	16	material	material	NOUN
bibechana-58405	97	17	.	.	PUNCT
bibechana-58405	98	1	symmetric	symmetric	ADJ
bibechana-58405	98	2	and	and	CCONJ
bibechana-58405	98	3	equal	equal	ADJ
bibechana-58405	98	4	electron	electron	NOUN
bibechana-58405	98	5	spin	spin	NOUN
bibechana-58405	98	6	distribution	distribution	NOUN
bibechana-58405	98	7	in	in	ADP
bibechana-58405	98	8	mentioned	mention	VERB
bibechana-58405	98	9	orbitals	orbital	NOUN
bibechana-58405	98	10	cancels	cancel	VERB
bibechana-58405	98	11	magnetic	magnetic	ADJ
bibechana-58405	98	12	moments	moment	NOUN
bibechana-58405	98	13	,	,	PUNCT
bibechana-58405	98	14	that	that	PRON
bibechana-58405	98	15	explains	explain	VERB
bibechana-58405	98	16	the	the	DET
bibechana-58405	98	17	non	non	ADJ
bibechana-58405	98	18	-	-	ADJ
bibechana-58405	98	19	magnetic	magnetic	ADJ
bibechana-58405	98	20	behavior	behavior	NOUN
bibechana-58405	98	21	in	in	ADP
bibechana-58405	98	22	xnisn	xnisn	PROPN
bibechana-58405	98	23	compounds	compound	NOUN
bibechana-58405	98	24	.	.	PUNCT
bibechana-58405	99	1	the	the	DET
bibechana-58405	99	2	non	non	ADJ
bibechana-58405	99	3	-	-	ADJ
bibechana-58405	99	4	magnetic	magnetic	ADJ
bibechana-58405	99	5	behavior	behavior	NOUN
bibechana-58405	99	6	in	in	ADP
bibechana-58405	99	7	these	these	DET
bibechana-58405	99	8	18	18	NUM
bibechana-58405	99	9	vec	vec	PROPN
bibechana-58405	99	10	hh	hh	PROPN
bibechana-58405	99	11	is	be	AUX
bibechana-58405	99	12	in	in	ADP
bibechana-58405	99	13	agreement	agreement	NOUN
bibechana-58405	99	14	with	with	ADP
bibechana-58405	99	15	the	the	DET
bibechana-58405	99	16	slater	slater	NOUN
bibechana-58405	99	17	-	-	PUNCT
bibechana-58405	99	18	pauling	paule	VERB
bibechana-58405	99	19	rule	rule	NOUN
bibechana-58405	99	20	[	[	X
bibechana-58405	99	21	43	43	NUM
bibechana-58405	99	22	]	]	X
bibechana-58405	99	23	,	,	PUNCT
bibechana-58405	99	24	which	which	PRON
bibechana-58405	99	25	connects	connect	VERB
bibechana-58405	99	26	the	the	DET
bibechana-58405	99	27	material	material	NOUN
bibechana-58405	99	28	’s	’s	PART
bibechana-58405	99	29	magnetic	magnetic	ADJ
bibechana-58405	99	30	moment	moment	NOUN
bibechana-58405	99	31	(	(	PUNCT
bibechana-58405	99	32	m	m	NOUN
bibechana-58405	99	33	)	)	PUNCT
bibechana-58405	99	34	to	to	ADP
bibechana-58405	99	35	the	the	DET
bibechana-58405	99	36	number	number	NOUN
bibechana-58405	99	37	of	of	ADP
bibechana-58405	99	38	valence	valence	NOUN
bibechana-58405	99	39	electrons	electron	NOUN
bibechana-58405	99	40	(	(	PUNCT
bibechana-58405	99	41	z	z	NOUN
bibechana-58405	99	42	)	)	PUNCT
bibechana-58405	99	43	in	in	ADP
bibechana-58405	99	44	the	the	DET
bibechana-58405	99	45	unit	unit	NOUN
bibechana-58405	99	46	cell	cell	NOUN
bibechana-58405	99	47	as	as	ADP
bibechana-58405	99	48	m=	m=	X
bibechana-58405	99	49	(	(	PUNCT
bibechana-58405	99	50	z-18)µb	z-18)µb	NUM
bibechana-58405	99	51	.	.	PUNCT
bibechana-58405	100	1	prakash	prakash	PROPN
bibechana-58405	100	2	khatri	khatri	PROPN
bibechana-58405	100	3	and	and	CCONJ
bibechana-58405	100	4	n.	n.	PROPN
bibechana-58405	100	5	p.	p.	NOUN
bibechana-58405	101	1	adhikari/	adhikari/	NUM
bibechana-58405	101	2	bibechana	bibechana	NOUN
bibechana-58405	101	3	21	21	NUM
bibechana-58405	101	4	(	(	PUNCT
bibechana-58405	101	5	2024	2024	NUM
bibechana-58405	101	6	)	)	PUNCT
bibechana-58405	101	7	12	12	NUM
bibechana-58405	101	8	-	-	SYM
bibechana-58405	101	9	22	22	NUM
bibechana-58405	101	10	16	16	NUM
bibechana-58405	101	11	figure	figure	NOUN
bibechana-58405	101	12	3	3	NUM
bibechana-58405	101	13	:	:	PUNCT
bibechana-58405	101	14	the	the	DET
bibechana-58405	101	15	electronic	electronic	ADJ
bibechana-58405	101	16	band	band	NOUN
bibechana-58405	101	17	structure	structure	NOUN
bibechana-58405	101	18	and	and	CCONJ
bibechana-58405	101	19	pdos	pdo	VERB
bibechana-58405	101	20	plots	plot	NOUN
bibechana-58405	101	21	of	of	ADP
bibechana-58405	101	22	orbitals	orbital	NOUN
bibechana-58405	101	23	of	of	ADP
bibechana-58405	101	24	constituent	constituent	NOUN
bibechana-58405	101	25	atoms	atom	NOUN
bibechana-58405	101	26	(	(	PUNCT
bibechana-58405	101	27	a	a	X
bibechana-58405	101	28	)	)	PUNCT
bibechana-58405	101	29	tinisn	tinisn	NOUN
bibechana-58405	101	30	(	(	PUNCT
bibechana-58405	101	31	b	b	NOUN
bibechana-58405	101	32	)	)	PUNCT
bibechana-58405	101	33	zrnisn	zrnisn	PROPN
bibechana-58405	101	34	(	(	PUNCT
bibechana-58405	101	35	c	c	X
bibechana-58405	101	36	)	)	PUNCT
bibechana-58405	101	37	hfnisn	hfnisn	VERB
bibechana-58405	101	38	with	with	ADP
bibechana-58405	101	39	the	the	DET
bibechana-58405	101	40	fermi	fermi	NOUN
bibechana-58405	101	41	level	level	NOUN
bibechana-58405	101	42	represented	represent	VERB
bibechana-58405	101	43	by	by	ADP
bibechana-58405	101	44	a	a	DET
bibechana-58405	101	45	horizontal	horizontal	ADJ
bibechana-58405	101	46	dotted	dotted	ADJ
bibechana-58405	101	47	line	line	NOUN
bibechana-58405	101	48	.	.	PUNCT
bibechana-58405	101	49	table	table	NOUN
bibechana-58405	101	50	2	2	NUM
bibechana-58405	101	51	:	:	PUNCT
bibechana-58405	101	52	comparison	comparison	NOUN
bibechana-58405	101	53	of	of	ADP
bibechana-58405	101	54	band	band	NOUN
bibechana-58405	101	55	gap	gap	NOUN
bibechana-58405	101	56	(	(	PUNCT
bibechana-58405	101	57	eg	eg	NOUN
bibechana-58405	101	58	in	in	ADP
bibechana-58405	101	59	ev	ev	NOUN
bibechana-58405	101	60	)	)	PUNCT
bibechana-58405	101	61	of	of	ADP
bibechana-58405	101	62	xnisn	xnisn	PROPN
bibechana-58405	101	63	(	(	PUNCT
bibechana-58405	101	64	x	x	X
bibechana-58405	101	65	=	=	SYM
bibechana-58405	101	66	ti	ti	NOUN
bibechana-58405	101	67	,	,	PUNCT
bibechana-58405	101	68	zr	zr	PROPN
bibechana-58405	101	69	,	,	PUNCT
bibechana-58405	101	70	hf	hf	NOUN
bibechana-58405	101	71	)	)	PUNCT
bibechana-58405	101	72	with	with	ADP
bibechana-58405	101	73	experimental	experimental	ADJ
bibechana-58405	101	74	and	and	CCONJ
bibechana-58405	101	75	theoretical	theoretical	ADJ
bibechana-58405	101	76	results	result	NOUN
bibechana-58405	101	77	reported	report	VERB
bibechana-58405	101	78	in	in	ADP
bibechana-58405	101	79	literatures	literature	NOUN
bibechana-58405	101	80	.	.	PUNCT
bibechana-58405	102	1	compound	compound	VERB
bibechana-58405	102	2	our	our	PRON
bibechana-58405	102	3	work	work	NOUN
bibechana-58405	102	4	aliev	aliev	ADP
bibechana-58405	102	5	et	et	PROPN
bibechana-58405	102	6	al.[38	al.[38	PROPN
bibechana-58405	102	7	]	]	PUNCT
bibechana-58405	102	8	öğüt	öğüt	PROPN
bibechana-58405	102	9	,	,	PUNCT
bibechana-58405	102	10	s.	s.	PROPN
bibechana-58405	102	11	,	,	PUNCT
bibechana-58405	102	12	&	&	CCONJ
bibechana-58405	102	13	rabe[39	rabe[39	PROPN
bibechana-58405	102	14	]	]	PUNCT
bibechana-58405	102	15	j.	j.	PROPN
bibechana-58405	102	16	yang	yang	PROPN
bibechana-58405	102	17	et	et	PROPN
bibechana-58405	102	18	al.[40	al.[40	PROPN
bibechana-58405	102	19	]	]	PUNCT
bibechana-58405	102	20	zou	zou	PROPN
bibechana-58405	102	21	et	et	PROPN
bibechana-58405	102	22	al.[41	al.[41	PROPN
bibechana-58405	102	23	]	]	PUNCT
bibechana-58405	102	24	tinisn	tinisn	NOUN
bibechana-58405	102	25	0.43	0.43	NUM
bibechana-58405	102	26	0.12	0.12	NUM
bibechana-58405	102	27	0.51	0.51	NUM
bibechana-58405	102	28	0.45	0.45	NUM
bibechana-58405	102	29	.	.	PUNCT
bibechana-58405	102	30	.	.	PUNCT
bibechana-58405	103	1	.	.	PUNCT
bibechana-58405	104	1	zrnisn	zrnisn	PROPN
bibechana-58405	104	2	0.47	0.47	NUM
bibechana-58405	104	3	0.18	0.18	NUM
bibechana-58405	104	4	0.51	0.51	NUM
bibechana-58405	104	5	0.51	0.51	NUM
bibechana-58405	104	6	0.52	0.52	NUM
bibechana-58405	104	7	hfnisn	hfnisn	VERB
bibechana-58405	104	8	0.39	0.39	NUM
bibechana-58405	104	9	0.22	0.22	NUM
bibechana-58405	104	10	0.48	0.48	NUM
bibechana-58405	104	11	0.39	0.39	NUM
bibechana-58405	104	12	0.36	0.36	NUM
bibechana-58405	104	13	figure	figure	NOUN
bibechana-58405	104	14	4	4	NUM
bibechana-58405	104	15	:	:	PUNCT
bibechana-58405	104	16	phonon	phonon	NOUN
bibechana-58405	104	17	band	band	NOUN
bibechana-58405	104	18	diagram	diagram	NOUN
bibechana-58405	104	19	of	of	ADP
bibechana-58405	104	20	(	(	PUNCT
bibechana-58405	104	21	a	a	PRON
bibechana-58405	104	22	)	)	PUNCT
bibechana-58405	104	23	tinisn	tinisn	NOUN
bibechana-58405	104	24	,	,	PUNCT
bibechana-58405	104	25	(	(	PUNCT
bibechana-58405	104	26	b	b	NOUN
bibechana-58405	104	27	)	)	PUNCT
bibechana-58405	104	28	zrnisn	zrnisn	PROPN
bibechana-58405	104	29	and	and	CCONJ
bibechana-58405	104	30	(	(	PUNCT
bibechana-58405	104	31	c	c	NOUN
bibechana-58405	104	32	)	)	PUNCT
bibechana-58405	104	33	hfnisn	hfnisn	PROPN
bibechana-58405	104	34	compounds	compound	NOUN
bibechana-58405	104	35	.	.	PUNCT
bibechana-58405	105	1	prakash	prakash	PROPN
bibechana-58405	105	2	khatri	khatri	PROPN
bibechana-58405	105	3	and	and	CCONJ
bibechana-58405	105	4	n.	n.	PROPN
bibechana-58405	105	5	p.	p.	NOUN
bibechana-58405	106	1	adhikari/	adhikari/	NUM
bibechana-58405	106	2	bibechana	bibechana	NOUN
bibechana-58405	106	3	21	21	NUM
bibechana-58405	106	4	(	(	PUNCT
bibechana-58405	106	5	2024	2024	NUM
bibechana-58405	106	6	)	)	PUNCT
bibechana-58405	106	7	12	12	NUM
bibechana-58405	106	8	-	-	SYM
bibechana-58405	106	9	22	22	NUM
bibechana-58405	106	10	17	17	NUM
bibechana-58405	106	11	3.3	3.3	NUM
bibechana-58405	106	12	phonon	phonon	NOUN
bibechana-58405	106	13	spectrum	spectrum	NOUN
bibechana-58405	106	14	and	and	CCONJ
bibechana-58405	106	15	dynamical	dynamical	ADJ
bibechana-58405	106	16	stability	stability	NOUN
bibechana-58405	106	17	this	this	DET
bibechana-58405	106	18	study	study	NOUN
bibechana-58405	106	19	presents	present	VERB
bibechana-58405	106	20	the	the	DET
bibechana-58405	106	21	phonon	phonon	NOUN
bibechana-58405	106	22	dispersion	dispersion	NOUN
bibechana-58405	106	23	of	of	ADP
bibechana-58405	106	24	xnisn	xnisn	PROPN
bibechana-58405	106	25	(	(	PUNCT
bibechana-58405	106	26	x	x	X
bibechana-58405	106	27	=	=	SYM
bibechana-58405	106	28	ti	ti	NOUN
bibechana-58405	106	29	,	,	PUNCT
bibechana-58405	106	30	zr	zr	PROPN
bibechana-58405	106	31	,	,	PUNCT
bibechana-58405	106	32	hf	hf	NOUN
bibechana-58405	106	33	)	)	PUNCT
bibechana-58405	106	34	using	use	VERB
bibechana-58405	106	35	dfpt	dfpt	NOUN
bibechana-58405	106	36	as	as	SCONJ
bibechana-58405	106	37	shown	show	VERB
bibechana-58405	106	38	in	in	ADP
bibechana-58405	106	39	figures	figure	NOUN
bibechana-58405	106	40	4(a	4(a	NUM
bibechana-58405	106	41	)	)	PUNCT
bibechana-58405	106	42	,	,	PUNCT
bibechana-58405	106	43	4(b	4(b	NUM
bibechana-58405	106	44	)	)	PUNCT
bibechana-58405	106	45	and	and	CCONJ
bibechana-58405	106	46	4(c	4(c	NUM
bibechana-58405	106	47	)	)	PUNCT
bibechana-58405	106	48	respectively	respectively	ADV
bibechana-58405	106	49	.	.	PUNCT
bibechana-58405	107	1	the	the	DET
bibechana-58405	107	2	compounds	compound	NOUN
bibechana-58405	107	3	were	be	AUX
bibechana-58405	107	4	checked	check	VERB
bibechana-58405	107	5	for	for	ADP
bibechana-58405	107	6	dynamical	dynamical	ADJ
bibechana-58405	107	7	stability	stability	NOUN
bibechana-58405	107	8	using	use	VERB
bibechana-58405	107	9	these	these	DET
bibechana-58405	107	10	curves	curve	NOUN
bibechana-58405	107	11	.	.	PUNCT
bibechana-58405	108	1	stability	stability	NOUN
bibechana-58405	108	2	is	be	AUX
bibechana-58405	108	3	indicated	indicate	VERB
bibechana-58405	108	4	by	by	ADP
bibechana-58405	108	5	real	real	ADJ
bibechana-58405	108	6	frequencies	frequency	NOUN
bibechana-58405	108	7	,	,	PUNCT
bibechana-58405	108	8	while	while	SCONJ
bibechana-58405	108	9	instability	instability	NOUN
bibechana-58405	108	10	is	be	AUX
bibechana-58405	108	11	indicated	indicate	VERB
bibechana-58405	108	12	by	by	ADP
bibechana-58405	108	13	imaginary	imaginary	ADJ
bibechana-58405	108	14	frequencies	frequency	NOUN
bibechana-58405	108	15	.	.	PUNCT
bibechana-58405	109	1	figure	figure	VERB
bibechana-58405	109	2	4	4	NUM
bibechana-58405	109	3	’s	’s	PART
bibechana-58405	109	4	phonon	phonon	NOUN
bibechana-58405	109	5	dispersion	dispersion	NOUN
bibechana-58405	109	6	curves	curve	NOUN
bibechana-58405	109	7	confirms	confirm	VERB
bibechana-58405	109	8	the	the	DET
bibechana-58405	109	9	dynamic	dynamic	ADJ
bibechana-58405	109	10	stability	stability	NOUN
bibechana-58405	109	11	of	of	ADP
bibechana-58405	109	12	the	the	DET
bibechana-58405	109	13	compounds	compound	NOUN
bibechana-58405	109	14	,	,	PUNCT
bibechana-58405	109	15	as	as	SCONJ
bibechana-58405	109	16	they	they	PRON
bibechana-58405	109	17	lack	lack	VERB
bibechana-58405	109	18	imaginary	imaginary	ADJ
bibechana-58405	109	19	phonon	phonon	NOUN
bibechana-58405	109	20	frequencies	frequency	NOUN
bibechana-58405	109	21	.	.	PUNCT
bibechana-58405	110	1	with	with	ADP
bibechana-58405	110	2	a	a	DET
bibechana-58405	110	3	primitive	primitive	ADJ
bibechana-58405	110	4	unit	unit	NOUN
bibechana-58405	110	5	cell	cell	NOUN
bibechana-58405	110	6	having	have	VERB
bibechana-58405	110	7	3	3	NUM
bibechana-58405	110	8	atoms	atom	NOUN
bibechana-58405	110	9	,	,	PUNCT
bibechana-58405	110	10	these	these	DET
bibechana-58405	110	11	compounds	compound	NOUN
bibechana-58405	110	12	have	have	VERB
bibechana-58405	110	13	three	three	NUM
bibechana-58405	110	14	low	low	ADJ
bibechana-58405	110	15	-	-	PUNCT
bibechana-58405	110	16	frequency	frequency	NOUN
bibechana-58405	110	17	acoustic	acoustic	ADJ
bibechana-58405	110	18	modes	mode	NOUN
bibechana-58405	110	19	and	and	CCONJ
bibechana-58405	110	20	six	six	NUM
bibechana-58405	110	21	highfrequency	highfrequency	NOUN
bibechana-58405	110	22	optical	optical	ADJ
bibechana-58405	110	23	modes	mode	NOUN
bibechana-58405	110	24	in	in	ADP
bibechana-58405	110	25	their	their	PRON
bibechana-58405	110	26	phonon	phonon	NOUN
bibechana-58405	110	27	dispersion	dispersion	NOUN
bibechana-58405	110	28	curve	curve	NOUN
bibechana-58405	110	29	.	.	PUNCT
bibechana-58405	111	1	the	the	DET
bibechana-58405	111	2	equation	equation	NOUN
bibechana-58405	111	3	vg	vg	ADV
bibechana-58405	111	4	=	=	PUNCT
bibechana-58405	111	5	dω	dω	ADP
bibechana-58405	111	6	dk	dk	PROPN
bibechana-58405	111	7	defines	define	NOUN
bibechana-58405	111	8	phonon	phonon	NOUN
bibechana-58405	111	9	group	group	NOUN
bibechana-58405	111	10	velocity	velocity	NOUN
bibechana-58405	111	11	,	,	PUNCT
bibechana-58405	111	12	where	where	SCONJ
bibechana-58405	111	13	optical	optical	ADJ
bibechana-58405	111	14	dk	dk	NOUN
bibechana-58405	111	15	branches	branch	NOUN
bibechana-58405	111	16	exhibit	exhibit	VERB
bibechana-58405	111	17	a	a	DET
bibechana-58405	111	18	low	low	ADJ
bibechana-58405	111	19	group	group	NOUN
bibechana-58405	111	20	velocity	velocity	NOUN
bibechana-58405	111	21	due	due	ADP
bibechana-58405	111	22	to	to	ADP
bibechana-58405	111	23	their	their	PRON
bibechana-58405	111	24	flat	flat	ADJ
bibechana-58405	111	25	curvature	curvature	NOUN
bibechana-58405	111	26	,	,	PUNCT
bibechana-58405	111	27	while	while	SCONJ
bibechana-58405	111	28	acoustic	acoustic	ADJ
bibechana-58405	111	29	branches	branch	NOUN
bibechana-58405	111	30	show	show	VERB
bibechana-58405	111	31	a	a	DET
bibechana-58405	111	32	high	high	ADJ
bibechana-58405	111	33	group	group	NOUN
bibechana-58405	111	34	velocity	velocity	NOUN
bibechana-58405	111	35	with	with	ADP
bibechana-58405	111	36	a	a	DET
bibechana-58405	111	37	linear	linear	ADJ
bibechana-58405	111	38	variation	variation	NOUN
bibechana-58405	111	39	.	.	PUNCT
bibechana-58405	112	1	thus	thus	ADV
bibechana-58405	112	2	,	,	PUNCT
bibechana-58405	112	3	the	the	DET
bibechana-58405	112	4	acoustic	acoustic	ADJ
bibechana-58405	112	5	modes	mode	NOUN
bibechana-58405	112	6	play	play	VERB
bibechana-58405	112	7	a	a	DET
bibechana-58405	112	8	significant	significant	ADJ
bibechana-58405	112	9	role	role	NOUN
bibechana-58405	112	10	in	in	ADP
bibechana-58405	112	11	heat	heat	NOUN
bibechana-58405	112	12	transport	transport	NOUN
bibechana-58405	112	13	and	and	CCONJ
bibechana-58405	112	14	κl	κl	NOUN
bibechana-58405	112	15	,	,	PUNCT
bibechana-58405	112	16	while	while	SCONJ
bibechana-58405	112	17	the	the	DET
bibechana-58405	112	18	optical	optical	ADJ
bibechana-58405	112	19	branch	branch	NOUN
bibechana-58405	112	20	has	have	VERB
bibechana-58405	112	21	a	a	DET
bibechana-58405	112	22	minor	minor	ADJ
bibechana-58405	112	23	impact	impact	NOUN
bibechana-58405	112	24	.	.	PUNCT
bibechana-58405	113	1	there	there	PRON
bibechana-58405	113	2	is	be	VERB
bibechana-58405	113	3	a	a	DET
bibechana-58405	113	4	noticeable	noticeable	ADJ
bibechana-58405	113	5	separation	separation	NOUN
bibechana-58405	113	6	between	between	ADP
bibechana-58405	113	7	the	the	DET
bibechana-58405	113	8	optical	optical	ADJ
bibechana-58405	113	9	and	and	CCONJ
bibechana-58405	113	10	acoustic	acoustic	ADJ
bibechana-58405	113	11	phonon	phonon	NOUN
bibechana-58405	113	12	modes	mode	NOUN
bibechana-58405	113	13	,	,	PUNCT
bibechana-58405	113	14	which	which	PRON
bibechana-58405	113	15	decreases	decrease	VERB
bibechana-58405	113	16	from	from	ADP
bibechana-58405	113	17	tinisn	tinisn	NOUN
bibechana-58405	113	18	to	to	PART
bibechana-58405	113	19	hfnisn	hfnisn	VERB
bibechana-58405	113	20	.	.	PUNCT
bibechana-58405	114	1	the	the	DET
bibechana-58405	114	2	low	low	ADJ
bibechana-58405	114	3	κl	κl	NOUN
bibechana-58405	114	4	might	might	AUX
bibechana-58405	114	5	be	be	AUX
bibechana-58405	114	6	achieved	achieve	VERB
bibechana-58405	114	7	in	in	ADP
bibechana-58405	114	8	the	the	DET
bibechana-58405	114	9	compounds	compound	NOUN
bibechana-58405	114	10	having	have	VERB
bibechana-58405	114	11	a	a	DET
bibechana-58405	114	12	small	small	ADJ
bibechana-58405	114	13	phonon	phonon	NOUN
bibechana-58405	114	14	gap	gap	NOUN
bibechana-58405	114	15	or	or	CCONJ
bibechana-58405	114	16	maximum	maximum	NOUN
bibechana-58405	114	17	overlapping	overlapping	NOUN
bibechana-58405	114	18	because	because	SCONJ
bibechana-58405	114	19	of	of	ADP
bibechana-58405	114	20	enhanced	enhanced	ADJ
bibechana-58405	114	21	phonon	phonon	NOUN
bibechana-58405	114	22	scattering	scatter	VERB
bibechana-58405	114	23	[	[	X
bibechana-58405	114	24	44	44	NUM
bibechana-58405	114	25	]	]	PUNCT
bibechana-58405	114	26	.	.	PUNCT
bibechana-58405	115	1	the	the	DET
bibechana-58405	115	2	overlapping	overlapping	NOUN
bibechana-58405	115	3	of	of	ADP
bibechana-58405	115	4	phonon	phonon	NOUN
bibechana-58405	115	5	modes	mode	NOUN
bibechana-58405	115	6	increases	increase	NOUN
bibechana-58405	115	7	in	in	ADP
bibechana-58405	115	8	the	the	DET
bibechana-58405	115	9	order	order	NOUN
bibechana-58405	115	10	of	of	ADP
bibechana-58405	115	11	ti	ti	NOUN
bibechana-58405	115	12	<	<	X
bibechana-58405	115	13	zr	zr	X
bibechana-58405	115	14	<	<	X
bibechana-58405	115	15	hf	hf	PROPN
bibechana-58405	115	16	,	,	PUNCT
bibechana-58405	115	17	consequently	consequently	ADV
bibechana-58405	115	18	strongly	strongly	ADV
bibechana-58405	115	19	influencing	influence	VERB
bibechana-58405	115	20	the	the	DET
bibechana-58405	115	21	thermal	thermal	ADJ
bibechana-58405	115	22	transport	transport	NOUN
bibechana-58405	115	23	of	of	ADP
bibechana-58405	115	24	phonons	phonon	NOUN
bibechana-58405	115	25	in	in	ADP
bibechana-58405	115	26	the	the	DET
bibechana-58405	115	27	same	same	ADJ
bibechana-58405	115	28	order	order	NOUN
bibechana-58405	115	29	.	.	PUNCT
bibechana-58405	116	1	the	the	DET
bibechana-58405	116	2	maximum	maximum	ADJ
bibechana-58405	116	3	acoustic	acoustic	ADJ
bibechana-58405	116	4	mode	mode	NOUN
bibechana-58405	116	5	frequency	frequency	NOUN
bibechana-58405	116	6	for	for	ADP
bibechana-58405	116	7	tinisn	tinisn	NOUN
bibechana-58405	116	8	(	(	PUNCT
bibechana-58405	116	9	156	156	NUM
bibechana-58405	116	10	cm−1	cm−1	NOUN
bibechana-58405	116	11	)	)	PUNCT
bibechana-58405	116	12	,	,	PUNCT
bibechana-58405	116	13	zrnisn	zrnisn	NUM
bibechana-58405	116	14	(	(	PUNCT
bibechana-58405	116	15	153	153	NUM
bibechana-58405	116	16	cm−1	cm−1	NOUN
bibechana-58405	116	17	)	)	PUNCT
bibechana-58405	116	18	and	and	CCONJ
bibechana-58405	116	19	hfnisn	hfnisn	VERB
bibechana-58405	116	20	(	(	PUNCT
bibechana-58405	116	21	140	140	NUM
bibechana-58405	116	22	cm−1	cm−1	NOUN
bibechana-58405	116	23	)	)	PUNCT
bibechana-58405	116	24	.	.	PUNCT
bibechana-58405	117	1	the	the	DET
bibechana-58405	117	2	low	low	ADJ
bibechana-58405	117	3	-	-	PUNCT
bibechana-58405	117	4	energy	energy	NOUN
bibechana-58405	117	5	acoustic	acoustic	ADJ
bibechana-58405	117	6	phonons	phonon	NOUN
bibechana-58405	117	7	have	have	AUX
bibechana-58405	117	8	limited	limit	VERB
bibechana-58405	117	9	energy	energy	NOUN
bibechana-58405	117	10	transfer	transfer	NOUN
bibechana-58405	117	11	during	during	ADP
bibechana-58405	117	12	heat	heat	NOUN
bibechana-58405	117	13	transport	transport	NOUN
bibechana-58405	117	14	,	,	PUNCT
bibechana-58405	117	15	which	which	PRON
bibechana-58405	117	16	ultimately	ultimately	ADV
bibechana-58405	117	17	leads	lead	VERB
bibechana-58405	117	18	to	to	ADP
bibechana-58405	117	19	a	a	DET
bibechana-58405	117	20	low	low	ADJ
bibechana-58405	117	21	κl	κl	NOUN
bibechana-58405	117	22	in	in	ADP
bibechana-58405	117	23	these	these	DET
bibechana-58405	117	24	materials	material	NOUN
bibechana-58405	117	25	.	.	PUNCT
bibechana-58405	118	1	among	among	ADP
bibechana-58405	118	2	these	these	DET
bibechana-58405	118	3	compounds	compound	NOUN
bibechana-58405	118	4	,	,	PUNCT
bibechana-58405	118	5	the	the	DET
bibechana-58405	118	6	low	low	ADJ
bibechana-58405	118	7	frequency	frequency	NOUN
bibechana-58405	118	8	for	for	ADP
bibechana-58405	118	9	acoustic	acoustic	ADJ
bibechana-58405	118	10	modes	mode	NOUN
bibechana-58405	118	11	in	in	ADP
bibechana-58405	118	12	the	the	DET
bibechana-58405	118	13	phonon	phonon	NOUN
bibechana-58405	118	14	is	be	AUX
bibechana-58405	118	15	least	least	ADJ
bibechana-58405	118	16	for	for	ADP
bibechana-58405	118	17	hfnisn	hfnisn	PROPN
bibechana-58405	118	18	.	.	PROPN
bibechana-58405	119	1	3.4	3.4	NUM
bibechana-58405	119	2	estimation	estimation	NOUN
bibechana-58405	119	3	of	of	ADP
bibechana-58405	119	4	lattice	lattice	PROPN
bibechana-58405	119	5	thermal	thermal	ADJ
bibechana-58405	119	6	conductivity	conductivity	NOUN
bibechana-58405	119	7	slack	slack	NOUN
bibechana-58405	119	8	’s	’s	PART
bibechana-58405	119	9	equation	equation	NOUN
bibechana-58405	119	10	[	[	X
bibechana-58405	119	11	22	22	NUM
bibechana-58405	119	12	]	]	PUNCT
bibechana-58405	119	13	for	for	ADP
bibechana-58405	119	14	calculating	calculate	VERB
bibechana-58405	119	15	κl	κl	ADV
bibechana-58405	119	16	is	be	AUX
bibechana-58405	119	17	,	,	PUNCT
bibechana-58405	119	18	κl	κl	ADJ
bibechana-58405	119	19	=	=	PUNCT
bibechana-58405	119	20	v	v	ADP
bibechana-58405	119	21	1/3amθ3d	1/3amθ3d	NUM
bibechana-58405	119	22	γ2tn2/3	γ2tn2/3	PROPN
bibechana-58405	119	23	(	(	PUNCT
bibechana-58405	119	24	3	3	X
bibechana-58405	119	25	)	)	PUNCT
bibechana-58405	119	26	the	the	DET
bibechana-58405	119	27	parameters	parameter	NOUN
bibechana-58405	119	28	in	in	ADP
bibechana-58405	119	29	the	the	DET
bibechana-58405	119	30	equation	equation	NOUN
bibechana-58405	119	31	are	be	AUX
bibechana-58405	119	32	average	average	ADJ
bibechana-58405	119	33	atomic	atomic	ADJ
bibechana-58405	119	34	mass	mass	NOUN
bibechana-58405	119	35	(	(	PUNCT
bibechana-58405	119	36	m	m	NOUN
bibechana-58405	119	37	)	)	PUNCT
bibechana-58405	119	38	,	,	PUNCT
bibechana-58405	119	39	volume	volume	NOUN
bibechana-58405	119	40	per	per	ADP
bibechana-58405	119	41	cell	cell	NOUN
bibechana-58405	119	42	(	(	PUNCT
bibechana-58405	119	43	v	v	NOUN
bibechana-58405	119	44	)	)	PUNCT
bibechana-58405	119	45	,	,	PUNCT
bibechana-58405	119	46	number	number	NOUN
bibechana-58405	119	47	of	of	ADP
bibechana-58405	119	48	atoms	atom	NOUN
bibechana-58405	119	49	in	in	ADP
bibechana-58405	119	50	the	the	DET
bibechana-58405	119	51	primitive	primitive	ADJ
bibechana-58405	119	52	unit	unit	NOUN
bibechana-58405	119	53	cell	cell	NOUN
bibechana-58405	119	54	(	(	PUNCT
bibechana-58405	119	55	n	n	CCONJ
bibechana-58405	119	56	)	)	PUNCT
bibechana-58405	119	57	,	,	PUNCT
bibechana-58405	119	58	grüneisen	grüneisen	ADJ
bibechana-58405	119	59	parameter	parameter	NOUN
bibechana-58405	119	60	(	(	PUNCT
bibechana-58405	119	61	γ	γ	PROPN
bibechana-58405	119	62	)	)	PUNCT
bibechana-58405	119	63	and	and	CCONJ
bibechana-58405	119	64	debye	debye	ADJ
bibechana-58405	119	65	temperature	temperature	NOUN
bibechana-58405	119	66	(	(	PUNCT
bibechana-58405	119	67	θd	θd	NOUN
bibechana-58405	119	68	)	)	PUNCT
bibechana-58405	119	69	.	.	PUNCT
bibechana-58405	120	1	the	the	DET
bibechana-58405	120	2	grüneisen	grüneisen	ADJ
bibechana-58405	120	3	parameter	parameter	NOUN
bibechana-58405	120	4	(	(	PUNCT
bibechana-58405	120	5	γ	γ	X
bibechana-58405	120	6	)	)	PUNCT
bibechana-58405	120	7	is	be	AUX
bibechana-58405	120	8	a	a	DET
bibechana-58405	120	9	measure	measure	NOUN
bibechana-58405	120	10	of	of	ADP
bibechana-58405	120	11	the	the	DET
bibechana-58405	120	12	strength	strength	NOUN
bibechana-58405	120	13	of	of	ADP
bibechana-58405	120	14	lattice	lattice	PROPN
bibechana-58405	120	15	anharmonicity	anharmonicity	PROPN
bibechana-58405	120	16	in	in	ADP
bibechana-58405	120	17	a	a	DET
bibechana-58405	120	18	material	material	NOUN
bibechana-58405	120	19	that	that	PRON
bibechana-58405	120	20	influences	influence	VERB
bibechana-58405	120	21	κl	κl	ADJ
bibechana-58405	120	22	.	.	PUNCT
bibechana-58405	121	1	it	it	PRON
bibechana-58405	121	2	can	can	AUX
bibechana-58405	121	3	be	be	AUX
bibechana-58405	121	4	determined	determine	VERB
bibechana-58405	121	5	by	by	ADP
bibechana-58405	121	6	considering	consider	VERB
bibechana-58405	121	7	the	the	DET
bibechana-58405	121	8	longitudinal	longitudinal	ADJ
bibechana-58405	121	9	(	(	PUNCT
bibechana-58405	121	10	vl	vl	NOUN
bibechana-58405	121	11	)	)	PUNCT
bibechana-58405	121	12	and	and	CCONJ
bibechana-58405	121	13	transverse	transverse	NOUN
bibechana-58405	121	14	(	(	PUNCT
bibechana-58405	121	15	vt	vt	NOUN
bibechana-58405	121	16	)	)	PUNCT
bibechana-58405	121	17	velocities	velocity	NOUN
bibechana-58405	121	18	of	of	ADP
bibechana-58405	121	19	the	the	DET
bibechana-58405	121	20	lattice	lattice	NOUN
bibechana-58405	121	21	vibrations	vibration	NOUN
bibechana-58405	121	22	.	.	PUNCT
bibechana-58405	122	1	our	our	PRON
bibechana-58405	122	2	calculations	calculation	NOUN
bibechana-58405	122	3	are	be	AUX
bibechana-58405	122	4	focused	focus	VERB
bibechana-58405	122	5	on	on	ADP
bibechana-58405	122	6	determining	determine	VERB
bibechana-58405	122	7	the	the	DET
bibechana-58405	122	8	γ	γ	NOUN
bibechana-58405	122	9	through	through	ADP
bibechana-58405	122	10	the	the	DET
bibechana-58405	122	11	analysis	analysis	NOUN
bibechana-58405	122	12	of	of	ADP
bibechana-58405	122	13	elastic	elastic	ADJ
bibechana-58405	122	14	constants	constant	NOUN
bibechana-58405	122	15	[	[	X
bibechana-58405	122	16	45	45	NUM
bibechana-58405	122	17	]	]	PUNCT
bibechana-58405	122	18	.	.	PUNCT
bibechana-58405	123	1	grüneisen	grüneisen	ADJ
bibechana-58405	123	2	parameter	parameter	NOUN
bibechana-58405	123	3	(	(	PUNCT
bibechana-58405	123	4	γ	γ	X
bibechana-58405	123	5	)	)	PUNCT
bibechana-58405	123	6	is	be	AUX
bibechana-58405	123	7	computed	compute	VERB
bibechana-58405	123	8	as	as	ADP
bibechana-58405	123	9	,	,	PUNCT
bibechana-58405	123	10	γ	γ	X
bibechana-58405	123	11	=	=	SYM
bibechana-58405	123	12	9−	9−	NUM
bibechana-58405	123	13	12(vt	12(vt	NUM
bibechana-58405	123	14	/	/	SYM
bibechana-58405	123	15	vl	vl	NOUN
bibechana-58405	123	16	)	)	PUNCT
bibechana-58405	123	17	2	2	NUM
bibechana-58405	123	18	2	2	NUM
bibechana-58405	123	19	+	+	CCONJ
bibechana-58405	123	20	4(vt	4(vt	NUM
bibechana-58405	123	21	/	/	SYM
bibechana-58405	123	22	vl)2	vl)2	PROPN
bibechana-58405	123	23	(	(	PUNCT
bibechana-58405	123	24	4	4	NUM
bibechana-58405	123	25	)	)	PUNCT
bibechana-58405	123	26	the	the	DET
bibechana-58405	123	27	dimensionless	dimensionless	NOUN
bibechana-58405	123	28	constant	constant	VERB
bibechana-58405	123	29	a	a	PRON
bibechana-58405	123	30	is	be	AUX
bibechana-58405	123	31	computed	compute	VERB
bibechana-58405	123	32	as	as	ADP
bibechana-58405	123	33	a	a	DET
bibechana-58405	123	34	=	=	SYM
bibechana-58405	123	35	2.43×	2.43×	PROPN
bibechana-58405	123	36	10−8	10−8	NUM
bibechana-58405	123	37	1−	1−	NUM
bibechana-58405	123	38	0.514	0.514	NUM
bibechana-58405	123	39	/	/	SYM
bibechana-58405	123	40	γ	γ	X
bibechana-58405	123	41	+	+	NOUN
bibechana-58405	123	42	0.228	0.228	NUM
bibechana-58405	123	43	/	/	SYM
bibechana-58405	123	44	γ2	γ2	NOUN
bibechana-58405	123	45	(	(	PUNCT
bibechana-58405	123	46	5	5	NUM
bibechana-58405	123	47	)	)	PUNCT
bibechana-58405	123	48	the	the	DET
bibechana-58405	123	49	vl	vl	PROPN
bibechana-58405	123	50	and	and	CCONJ
bibechana-58405	123	51	vt	vt	PROPN
bibechana-58405	123	52	were	be	AUX
bibechana-58405	123	53	calculated	calculate	VERB
bibechana-58405	123	54	using	use	VERB
bibechana-58405	123	55	two	two	NUM
bibechana-58405	123	56	different	different	ADJ
bibechana-58405	123	57	techniques	technique	NOUN
bibechana-58405	123	58	.	.	PUNCT
bibechana-58405	124	1	the	the	DET
bibechana-58405	124	2	first	first	ADJ
bibechana-58405	124	3	method	method	NOUN
bibechana-58405	124	4	used	use	VERB
bibechana-58405	124	5	the	the	DET
bibechana-58405	124	6	elastic	elastic	ADJ
bibechana-58405	124	7	parameters	parameter	NOUN
bibechana-58405	124	8	obtained	obtain	VERB
bibechana-58405	124	9	from	from	ADP
bibechana-58405	124	10	qha	qha	NOUN
bibechana-58405	124	11	implemented	implement	VERB
bibechana-58405	124	12	in	in	ADP
bibechana-58405	124	13	thermo_pw	thermo_pw	PROPN
bibechana-58405	124	14	codes	code	NOUN
bibechana-58405	124	15	.	.	PUNCT
bibechana-58405	125	1	the	the	DET
bibechana-58405	125	2	thermo_pw	thermo_pw	PROPN
bibechana-58405	125	3	algorithm	algorithm	PROPN
bibechana-58405	125	4	calculates	calculate	VERB
bibechana-58405	125	5	the	the	DET
bibechana-58405	125	6	various	various	ADJ
bibechana-58405	125	7	elastic	elastic	ADJ
bibechana-58405	125	8	constants	constant	NOUN
bibechana-58405	125	9	and	and	CCONJ
bibechana-58405	125	10	utilized	utilize	VERB
bibechana-58405	125	11	them	they	PRON
bibechana-58405	125	12	to	to	PART
bibechana-58405	125	13	derive	derive	VERB
bibechana-58405	125	14	various	various	ADJ
bibechana-58405	125	15	elastic	elastic	ADJ
bibechana-58405	125	16	properties	property	NOUN
bibechana-58405	125	17	,	,	PUNCT
bibechana-58405	125	18	including	include	VERB
bibechana-58405	125	19	bulk	bulk	ADJ
bibechana-58405	125	20	moduli	modulus	NOUN
bibechana-58405	125	21	,	,	PUNCT
bibechana-58405	125	22	shear	shear	NOUN
bibechana-58405	125	23	moduli	modulus	NOUN
bibechana-58405	125	24	and	and	CCONJ
bibechana-58405	125	25	young	young	ADJ
bibechana-58405	125	26	’s	’s	PART
bibechana-58405	125	27	moduli	modulus	NOUN
bibechana-58405	125	28	,	,	PUNCT
bibechana-58405	125	29	using	use	VERB
bibechana-58405	125	30	the	the	DET
bibechana-58405	125	31	voigt	voigt	PROPN
bibechana-58405	125	32	-	-	PUNCT
bibechana-58405	125	33	reuss	reuss	PROPN
bibechana-58405	125	34	-	-	PUNCT
bibechana-58405	125	35	hill	hill	NOUN
bibechana-58405	125	36	approximation	approximation	NOUN
bibechana-58405	125	37	[	[	X
bibechana-58405	125	38	46	46	NUM
bibechana-58405	125	39	,	,	PUNCT
bibechana-58405	125	40	47	47	NUM
bibechana-58405	125	41	]	]	PUNCT
bibechana-58405	125	42	.	.	PUNCT
bibechana-58405	126	1	these	these	DET
bibechana-58405	126	2	derived	derive	VERB
bibechana-58405	126	3	elastic	elastic	ADJ
bibechana-58405	126	4	properties	property	NOUN
bibechana-58405	126	5	were	be	AUX
bibechana-58405	126	6	then	then	ADV
bibechana-58405	126	7	employed	employ	VERB
bibechana-58405	126	8	to	to	PART
bibechana-58405	126	9	compute	compute	VERB
bibechana-58405	126	10	sound	sound	ADJ
bibechana-58405	126	11	velocities	velocity	NOUN
bibechana-58405	126	12	.	.	PUNCT
bibechana-58405	127	1	b	b	X
bibechana-58405	127	2	=	=	NOUN
bibechana-58405	127	3	c11	c11	NOUN
bibechana-58405	127	4	+	+	CCONJ
bibechana-58405	127	5	2c12	2c12	NOUN
bibechana-58405	127	6	3	3	NUM
bibechana-58405	127	7	(	(	PUNCT
bibechana-58405	127	8	6	6	NUM
bibechana-58405	127	9	)	)	PUNCT
bibechana-58405	127	10	g	g	NOUN
bibechana-58405	127	11	=	=	NOUN
bibechana-58405	127	12	c11	c11	NOUN
bibechana-58405	127	13	−	−	PROPN
bibechana-58405	127	14	c12	c12	PROPN
bibechana-58405	127	15	+	+	CCONJ
bibechana-58405	127	16	c13	c13	PROPN
bibechana-58405	127	17	5	5	NUM
bibechana-58405	127	18	+	+	CCONJ
bibechana-58405	127	19	5(c11	5(c11	NUM
bibechana-58405	127	20	−	−	NUM
bibechana-58405	127	21	c12	c12	NOUN
bibechana-58405	127	22	)	)	PUNCT
bibechana-58405	127	23	3(c11	3(c11	NUM
bibechana-58405	127	24	−	−	PROPN
bibechana-58405	127	25	c12	c12	NOUN
bibechana-58405	127	26	+	+	CCONJ
bibechana-58405	127	27	4c44	4c44	NUM
bibechana-58405	127	28	)	)	PUNCT
bibechana-58405	127	29	2	2	NUM
bibechana-58405	127	30	(	(	PUNCT
bibechana-58405	127	31	7	7	NUM
bibechana-58405	127	32	)	)	PUNCT
bibechana-58405	127	33	y	y	NOUN
bibechana-58405	127	34	=	=	SYM
bibechana-58405	127	35	9bg	9bg	NOUN
bibechana-58405	128	1	3b	3b	NUM
bibechana-58405	129	1	+	+	NOUN
bibechana-58405	129	2	g	g	PROPN
bibechana-58405	129	3	(	(	PUNCT
bibechana-58405	129	4	8)	8)	NUM
bibechana-58405	129	5	the	the	DET
bibechana-58405	129	6	longitudinal	longitudinal	ADJ
bibechana-58405	129	7	and	and	CCONJ
bibechana-58405	129	8	transverse	transverse	ADJ
bibechana-58405	129	9	velocity	velocity	NOUN
bibechana-58405	129	10	components	component	NOUN
bibechana-58405	129	11	of	of	ADP
bibechana-58405	129	12	lattice	lattice	NOUN
bibechana-58405	129	13	vibration	vibration	NOUN
bibechana-58405	129	14	are	be	AUX
bibechana-58405	129	15	,	,	PUNCT
bibechana-58405	129	16	vt	vt	PROPN
bibechana-58405	129	17	=	=	PUNCT
bibechana-58405	129	18	√	√	PROPN
bibechana-58405	129	19	g	g	NOUN
bibechana-58405	129	20	ρ	ρ	PROPN
bibechana-58405	129	21	(	(	PUNCT
bibechana-58405	129	22	9	9	NUM
bibechana-58405	129	23	)	)	PUNCT
bibechana-58405	130	1	vl	vl	NOUN
bibechana-58405	131	1	=	=	NOUN
bibechana-58405	132	1	√	√	NUM
bibechana-58405	132	2	3b	3b	NOUN
bibechana-58405	132	3	+	+	CCONJ
bibechana-58405	132	4	4	4	NUM
bibechana-58405	132	5	g	g	NOUN
bibechana-58405	132	6	3ρ	3ρ	NUM
bibechana-58405	132	7	(	(	PUNCT
bibechana-58405	132	8	10	10	NUM
bibechana-58405	132	9	)	)	PUNCT
bibechana-58405	132	10	the	the	DET
bibechana-58405	132	11	average	average	ADJ
bibechana-58405	132	12	sound	sound	NOUN
bibechana-58405	132	13	velocity	velocity	NOUN
bibechana-58405	132	14	,	,	PUNCT
bibechana-58405	132	15	v	v	NOUN
bibechana-58405	132	16	=	=	PUNCT
bibechana-58405	132	17	[	[	PUNCT
bibechana-58405	132	18	1	1	NUM
bibechana-58405	132	19	3	3	NUM
bibechana-58405	132	20	(	(	PUNCT
bibechana-58405	132	21	1	1	NUM
bibechana-58405	132	22	v3l	v3l	NOUN
bibechana-58405	132	23	+	+	CCONJ
bibechana-58405	132	24	2	2	NUM
bibechana-58405	132	25	v3	v3	PROPN
bibechana-58405	132	26	t	t	PROPN
bibechana-58405	132	27	)	)	PUNCT
bibechana-58405	133	1	]	]	X
bibechana-58405	133	2	−1/3	−1/3	ADJ
bibechana-58405	133	3	(	(	PUNCT
bibechana-58405	133	4	11	11	NUM
bibechana-58405	133	5	)	)	PUNCT
bibechana-58405	133	6	another	another	DET
bibechana-58405	133	7	significant	significant	ADJ
bibechana-58405	133	8	factor	factor	NOUN
bibechana-58405	133	9	in	in	ADP
bibechana-58405	133	10	computing	compute	VERB
bibechana-58405	133	11	κl	κl	ADV
bibechana-58405	133	12	is	be	AUX
bibechana-58405	133	13	the	the	DET
bibechana-58405	133	14	debye	debye	ADJ
bibechana-58405	133	15	temperature	temperature	NOUN
bibechana-58405	133	16	θd	θd	NOUN
bibechana-58405	133	17	,	,	PUNCT
bibechana-58405	133	18	which	which	PRON
bibechana-58405	133	19	considers	consider	VERB
bibechana-58405	133	20	the	the	DET
bibechana-58405	133	21	average	average	ADJ
bibechana-58405	133	22	sound	sound	ADJ
bibechana-58405	133	23	velocities	velocity	NOUN
bibechana-58405	133	24	.	.	PUNCT
bibechana-58405	134	1	the	the	DET
bibechana-58405	134	2	θd	θd	NOUN
bibechana-58405	134	3	corresponds	correspond	VERB
bibechana-58405	134	4	to	to	ADP
bibechana-58405	134	5	the	the	DET
bibechana-58405	134	6	state	state	NOUN
bibechana-58405	134	7	where	where	SCONJ
bibechana-58405	134	8	all	all	DET
bibechana-58405	134	9	phonon	phonon	NOUN
bibechana-58405	134	10	modes	mode	NOUN
bibechana-58405	134	11	in	in	ADP
bibechana-58405	134	12	a	a	DET
bibechana-58405	134	13	material	material	NOUN
bibechana-58405	134	14	are	be	AUX
bibechana-58405	134	15	fully	fully	ADV
bibechana-58405	134	16	excited	excited	ADJ
bibechana-58405	134	17	and	and	CCONJ
bibechana-58405	134	18	it	it	PRON
bibechana-58405	134	19	plays	play	VERB
bibechana-58405	134	20	a	a	DET
bibechana-58405	134	21	crucial	crucial	ADJ
bibechana-58405	134	22	role	role	NOUN
bibechana-58405	134	23	in	in	ADP
bibechana-58405	134	24	γ	γ	NOUN
bibechana-58405	134	25	and	and	CCONJ
bibechana-58405	134	26	hence	hence	ADV
bibechana-58405	134	27	κl	κl	ADV
bibechana-58405	134	28	[	[	X
bibechana-58405	134	29	47	47	NUM
bibechana-58405	134	30	]	]	PUNCT
bibechana-58405	134	31	.	.	PUNCT
bibechana-58405	135	1	θd	θd	PROPN
bibechana-58405	135	2	determined	determined	ADJ
bibechana-58405	135	3	form	form	NOUN
bibechana-58405	135	4	the	the	DET
bibechana-58405	135	5	average	average	ADJ
bibechana-58405	135	6	sound	sound	ADJ
bibechana-58405	135	7	velocities	velocity	NOUN
bibechana-58405	135	8	of	of	ADP
bibechana-58405	135	9	acoustic	acoustic	ADJ
bibechana-58405	135	10	phonon	phonon	NOUN
bibechana-58405	135	11	modes	mode	NOUN
bibechana-58405	135	12	[	[	X
bibechana-58405	135	13	46	46	NUM
bibechana-58405	135	14	]	]	PUNCT
bibechana-58405	135	15	,	,	PUNCT
bibechana-58405	135	16	θd	θd	NOUN
bibechana-58405	135	17	=	=	SYM
bibechana-58405	135	18	h̄	h̄	X
bibechana-58405	135	19	kb	kb	PROPN
bibechana-58405	135	20	(	(	PUNCT
bibechana-58405	135	21	6π2n	6π2n	PROPN
bibechana-58405	135	22	v	v	NOUN
bibechana-58405	135	23	)	)	PUNCT
bibechana-58405	135	24	2	2	NUM
bibechana-58405	135	25	ν	ν	NOUN
bibechana-58405	135	26	(	(	PUNCT
bibechana-58405	135	27	12	12	NUM
bibechana-58405	135	28	)	)	PUNCT
bibechana-58405	135	29	the	the	DET
bibechana-58405	135	30	second	second	ADJ
bibechana-58405	135	31	method	method	NOUN
bibechana-58405	135	32	involves	involve	VERB
bibechana-58405	135	33	the	the	DET
bibechana-58405	135	34	calculation	calculation	NOUN
bibechana-58405	135	35	of	of	ADP
bibechana-58405	135	36	the	the	DET
bibechana-58405	135	37	vl	vl	PROPN
bibechana-58405	135	38	and	and	CCONJ
bibechana-58405	135	39	vt	vt	PROPN
bibechana-58405	135	40	by	by	ADP
bibechana-58405	135	41	analyzing	analyze	VERB
bibechana-58405	135	42	the	the	DET
bibechana-58405	135	43	slopes	slope	NOUN
bibechana-58405	135	44	of	of	ADP
bibechana-58405	135	45	longitudinal	longitudinal	ADJ
bibechana-58405	135	46	and	and	CCONJ
bibechana-58405	135	47	transverse	transverse	ADJ
bibechana-58405	135	48	components	component	NOUN
bibechana-58405	135	49	of	of	ADP
bibechana-58405	135	50	the	the	DET
bibechana-58405	135	51	acoustic	acoustic	ADJ
bibechana-58405	135	52	branches	branch	NOUN
bibechana-58405	135	53	respectively	respectively	ADV
bibechana-58405	135	54	in	in	ADP
bibechana-58405	135	55	the	the	DET
bibechana-58405	135	56	phonon	phonon	NOUN
bibechana-58405	135	57	dispersion	dispersion	NOUN
bibechana-58405	135	58	curves	curve	NOUN
bibechana-58405	135	59	depicted	depict	VERB
bibechana-58405	135	60	in	in	ADP
bibechana-58405	135	61	figure	figure	NOUN
bibechana-58405	135	62	4(a	4(a	NUM
bibechana-58405	135	63	)	)	PUNCT
bibechana-58405	135	64	,	,	PUNCT
bibechana-58405	135	65	4(b	4(b	NUM
bibechana-58405	135	66	)	)	PUNCT
bibechana-58405	135	67	and	and	CCONJ
bibechana-58405	135	68	4(c	4(c	NUM
bibechana-58405	135	69	)	)	PUNCT
bibechana-58405	135	70	.	.	PUNCT
bibechana-58405	136	1	when	when	SCONJ
bibechana-58405	136	2	computing	compute	VERB
bibechana-58405	136	3	κl	κl	ADP
bibechana-58405	136	4	,	,	PUNCT
bibechana-58405	136	5	the	the	DET
bibechana-58405	136	6	linear	linear	ADJ
bibechana-58405	136	7	region	region	NOUN
bibechana-58405	136	8	near	near	ADP
bibechana-58405	136	9	the	the	DET
bibechana-58405	136	10	γ	γ	PROPN
bibechana-58405	136	11	point	point	NOUN
bibechana-58405	136	12	in	in	ADP
bibechana-58405	136	13	the	the	DET
bibechana-58405	136	14	acoustic	acoustic	ADJ
bibechana-58405	136	15	branch	branch	NOUN
bibechana-58405	136	16	of	of	ADP
bibechana-58405	136	17	the	the	DET
bibechana-58405	136	18	phonon	phonon	NOUN
bibechana-58405	136	19	dispersion	dispersion	NOUN
bibechana-58405	136	20	curve	curve	NOUN
bibechana-58405	136	21	is	be	AUX
bibechana-58405	136	22	selected	select	VERB
bibechana-58405	136	23	prakash	prakash	PROPN
bibechana-58405	136	24	khatri	khatri	PROPN
bibechana-58405	136	25	and	and	CCONJ
bibechana-58405	136	26	n.	n.	PROPN
bibechana-58405	136	27	p.	p.	NOUN
bibechana-58405	136	28	adhikari/	adhikari/	NUM
bibechana-58405	136	29	bibechana	bibechana	NOUN
bibechana-58405	136	30	21	21	NUM
bibechana-58405	136	31	(	(	PUNCT
bibechana-58405	136	32	2024	2024	NUM
bibechana-58405	136	33	)	)	PUNCT
bibechana-58405	136	34	12	12	NUM
bibechana-58405	136	35	-	-	SYM
bibechana-58405	136	36	22	22	NUM
bibechana-58405	136	37	18	18	NUM
bibechana-58405	136	38	because	because	SCONJ
bibechana-58405	136	39	it	it	PRON
bibechana-58405	136	40	impacts	impact	VERB
bibechana-58405	136	41	the	the	DET
bibechana-58405	136	42	thermal	thermal	ADJ
bibechana-58405	136	43	transport	transport	NOUN
bibechana-58405	136	44	significantly	significantly	ADV
bibechana-58405	136	45	.	.	PUNCT
bibechana-58405	137	1	the	the	DET
bibechana-58405	137	2	region	region	NOUN
bibechana-58405	137	3	is	be	AUX
bibechana-58405	137	4	selected	select	VERB
bibechana-58405	137	5	with	with	ADP
bibechana-58405	137	6	care	care	NOUN
bibechana-58405	137	7	to	to	PART
bibechana-58405	137	8	ensure	ensure	VERB
bibechana-58405	137	9	linearity	linearity	NOUN
bibechana-58405	137	10	.	.	PUNCT
bibechana-58405	138	1	table	table	NOUN
bibechana-58405	138	2	3	3	NUM
bibechana-58405	138	3	.	.	PUNCT
bibechana-58405	138	4	presents	present	VERB
bibechana-58405	138	5	the	the	DET
bibechana-58405	138	6	vl	vl	PROPN
bibechana-58405	138	7	,	,	PUNCT
bibechana-58405	138	8	vt	vt	PROPN
bibechana-58405	138	9	,	,	PUNCT
bibechana-58405	138	10	v	v	PROPN
bibechana-58405	138	11	,	,	PUNCT
bibechana-58405	138	12	θd	θd	NOUN
bibechana-58405	138	13	,	,	PUNCT
bibechana-58405	138	14	γ	γ	NOUN
bibechana-58405	138	15	and	and	CCONJ
bibechana-58405	138	16	κl	κl	ADJ
bibechana-58405	138	17	(	(	PUNCT
bibechana-58405	138	18	at	at	ADP
bibechana-58405	138	19	300k	300k	NUM
bibechana-58405	138	20	)	)	PUNCT
bibechana-58405	138	21	of	of	ADP
bibechana-58405	138	22	xnisn	xnisn	PROPN
bibechana-58405	138	23	compounds	compound	NOUN
bibechana-58405	138	24	.	.	PUNCT
bibechana-58405	139	1	the	the	DET
bibechana-58405	139	2	κl	κl	ADJ
bibechana-58405	139	3	of	of	ADP
bibechana-58405	139	4	determined	determined	ADJ
bibechana-58405	139	5	using	use	VERB
bibechana-58405	139	6	velocity	velocity	NOUN
bibechana-58405	139	7	values	value	NOUN
bibechana-58405	139	8	from	from	ADP
bibechana-58405	139	9	phonon	phonon	NOUN
bibechana-58405	139	10	slopes	slope	NOUN
bibechana-58405	139	11	by	by	ADP
bibechana-58405	139	12	dfpt	dfpt	NOUN
bibechana-58405	139	13	and	and	CCONJ
bibechana-58405	139	14	qha	qha	NOUN
bibechana-58405	139	15	model	model	NOUN
bibechana-58405	139	16	in	in	ADP
bibechana-58405	139	17	thermo_pw	thermo_pw	PROPN
bibechana-58405	139	18	codes	code	NOUN
bibechana-58405	139	19	,	,	PUNCT
bibechana-58405	139	20	are	be	AUX
bibechana-58405	139	21	tinisn	tinisn	NOUN
bibechana-58405	139	22	(	(	PUNCT
bibechana-58405	139	23	28.61	28.61	NUM
bibechana-58405	139	24	wm−1k−1	wm−1k−1	ADP
bibechana-58405	139	25	and	and	CCONJ
bibechana-58405	139	26	29.00	29.00	NUM
bibechana-58405	139	27	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	139	28	)	)	PUNCT
bibechana-58405	139	29	,	,	PUNCT
bibechana-58405	139	30	zrnisn	zrnisn	NUM
bibechana-58405	139	31	(	(	PUNCT
bibechana-58405	139	32	34.61	34.61	NUM
bibechana-58405	139	33	wm−1k−1	wm−1k−1	ADP
bibechana-58405	139	34	and	and	CCONJ
bibechana-58405	139	35	36.79	36.79	NUM
bibechana-58405	139	36	wm−1k−1	wm−1k−1	NOUN
bibechana-58405	139	37	)	)	PUNCT
bibechana-58405	139	38	and	and	CCONJ
bibechana-58405	139	39	hfnisn	hfnisn	VERB
bibechana-58405	139	40	(	(	PUNCT
bibechana-58405	139	41	29.85	29.85	NUM
bibechana-58405	139	42	wm−1k−1	wm−1k−1	ADP
bibechana-58405	139	43	and	and	CCONJ
bibechana-58405	139	44	31.59	31.59	NUM
bibechana-58405	139	45	wm−1k−1	wm−1k−1	NOUN
bibechana-58405	139	46	)	)	PUNCT
bibechana-58405	139	47	respectively	respectively	ADV
bibechana-58405	139	48	.	.	PUNCT
bibechana-58405	140	1	the	the	DET
bibechana-58405	140	2	results	result	NOUN
bibechana-58405	140	3	obtained	obtain	VERB
bibechana-58405	140	4	from	from	ADP
bibechana-58405	140	5	both	both	DET
bibechana-58405	140	6	methods	method	NOUN
bibechana-58405	140	7	show	show	VERB
bibechana-58405	140	8	an	an	DET
bibechana-58405	140	9	agreement	agreement	NOUN
bibechana-58405	140	10	of	of	ADP
bibechana-58405	140	11	1.48	1.48	NUM
bibechana-58405	140	12	%	%	NOUN
bibechana-58405	140	13	,	,	PUNCT
bibechana-58405	140	14	6.29	6.29	NUM
bibechana-58405	140	15	%	%	NOUN
bibechana-58405	140	16	,	,	PUNCT
bibechana-58405	140	17	and	and	CCONJ
bibechana-58405	140	18	5.82	5.82	NUM
bibechana-58405	140	19	%	%	NOUN
bibechana-58405	140	20	for	for	ADP
bibechana-58405	140	21	tinisn	tinisn	NOUN
bibechana-58405	140	22	,	,	PUNCT
bibechana-58405	140	23	zrnisn	zrnisn	PROPN
bibechana-58405	140	24	,	,	PUNCT
bibechana-58405	140	25	and	and	CCONJ
bibechana-58405	140	26	hfnisn	hfnisn	VERB
bibechana-58405	140	27	,	,	PUNCT
bibechana-58405	140	28	respectively	respectively	ADV
bibechana-58405	140	29	.	.	PUNCT
bibechana-58405	141	1	the	the	DET
bibechana-58405	141	2	variation	variation	NOUN
bibechana-58405	141	3	of	of	ADP
bibechana-58405	141	4	κl	κl	ADJ
bibechana-58405	141	5	calculated	calculated	ADJ
bibechana-58405	141	6	using	use	VERB
bibechana-58405	141	7	both	both	DET
bibechana-58405	141	8	approaches	approach	NOUN
bibechana-58405	141	9	for	for	ADP
bibechana-58405	141	10	all	all	DET
bibechana-58405	141	11	compounds	compound	NOUN
bibechana-58405	141	12	are	be	AUX
bibechana-58405	141	13	as	as	SCONJ
bibechana-58405	141	14	shown	show	VERB
bibechana-58405	141	15	in	in	ADP
bibechana-58405	141	16	figure	figure	NOUN
bibechana-58405	141	17	5	5	NUM
bibechana-58405	141	18	.	.	PUNCT
bibechana-58405	142	1	both	both	DET
bibechana-58405	142	2	approaches	approach	NOUN
bibechana-58405	142	3	calculate	calculate	VERB
bibechana-58405	142	4	κl	κl	ADV
bibechana-58405	142	5	from	from	ADP
bibechana-58405	142	6	elastic	elastic	ADJ
bibechana-58405	142	7	parameters	parameter	NOUN
bibechana-58405	142	8	but	but	CCONJ
bibechana-58405	142	9	differ	differ	VERB
bibechana-58405	142	10	in	in	ADP
bibechana-58405	142	11	the	the	DET
bibechana-58405	142	12	way	way	NOUN
bibechana-58405	142	13	of	of	ADP
bibechana-58405	142	14	estimation	estimation	NOUN
bibechana-58405	142	15	.	.	PUNCT
bibechana-58405	143	1	these	these	DET
bibechana-58405	143	2	approaches	approach	NOUN
bibechana-58405	143	3	have	have	VERB
bibechana-58405	143	4	varying	vary	VERB
bibechana-58405	143	5	accuracy	accuracy	NOUN
bibechana-58405	143	6	in	in	ADP
bibechana-58405	143	7	velocity	velocity	NOUN
bibechana-58405	143	8	estimations	estimation	NOUN
bibechana-58405	143	9	.	.	PUNCT
bibechana-58405	144	1	for	for	ADP
bibechana-58405	144	2	phonon	phonon	NOUN
bibechana-58405	144	3	velocity	velocity	NOUN
bibechana-58405	144	4	from	from	ADP
bibechana-58405	144	5	phonon	phonon	NOUN
bibechana-58405	144	6	band	band	NOUN
bibechana-58405	144	7	slopes	slope	NOUN
bibechana-58405	144	8	,	,	PUNCT
bibechana-58405	144	9	the	the	DET
bibechana-58405	144	10	acoustic	acoustic	ADJ
bibechana-58405	144	11	branches	branch	NOUN
bibechana-58405	144	12	near	near	ADP
bibechana-58405	144	13	the	the	DET
bibechana-58405	144	14	point	point	NOUN
bibechana-58405	144	15	in	in	ADP
bibechana-58405	144	16	a	a	DET
bibechana-58405	144	17	specific	specific	ADJ
bibechana-58405	144	18	and	and	CCONJ
bibechana-58405	144	19	localized	localized	ADJ
bibechana-58405	144	20	region	region	NOUN
bibechana-58405	144	21	of	of	ADP
bibechana-58405	144	22	the	the	DET
bibechana-58405	144	23	phonon	phonon	NOUN
bibechana-58405	144	24	dispersion	dispersion	NOUN
bibechana-58405	144	25	curve	curve	NOUN
bibechana-58405	144	26	are	be	AUX
bibechana-58405	144	27	analyzed	analyze	VERB
bibechana-58405	144	28	.	.	PUNCT
bibechana-58405	145	1	the	the	DET
bibechana-58405	145	2	another	another	DET
bibechana-58405	145	3	approach	approach	NOUN
bibechana-58405	145	4	estimates	estimate	VERB
bibechana-58405	145	5	the	the	DET
bibechana-58405	145	6	phonon	phonon	NOUN
bibechana-58405	145	7	velocities	velocity	NOUN
bibechana-58405	145	8	by	by	ADP
bibechana-58405	145	9	calculatingthe	calculatingthe	PRON
bibechana-58405	145	10	macroscopic	macroscopic	ADJ
bibechana-58405	145	11	elastic	elastic	ADJ
bibechana-58405	145	12	parameters	parameter	NOUN
bibechana-58405	145	13	from	from	ADP
bibechana-58405	145	14	elastic	elastic	ADJ
bibechana-58405	145	15	constants	constant	NOUN
bibechana-58405	145	16	without	without	ADP
bibechana-58405	145	17	explicitly	explicitly	ADV
bibechana-58405	145	18	considering	consider	VERB
bibechana-58405	145	19	individual	individual	ADJ
bibechana-58405	145	20	phonon	phonon	NOUN
bibechana-58405	145	21	vibrational	vibrational	ADJ
bibechana-58405	145	22	modes	mode	NOUN
bibechana-58405	145	23	.	.	PUNCT
bibechana-58405	146	1	figure	figure	NOUN
bibechana-58405	146	2	5	5	NUM
bibechana-58405	146	3	.	.	PUNCT
bibechana-58405	147	1	demonstrates	demonstrate	VERB
bibechana-58405	147	2	the	the	DET
bibechana-58405	147	3	temperaturedependent	temperaturedependent	ADJ
bibechana-58405	147	4	nature	nature	NOUN
bibechana-58405	147	5	of	of	ADP
bibechana-58405	147	6	κl	κl	PROPN
bibechana-58405	147	7	.	.	PUNCT
bibechana-58405	148	1	our	our	PRON
bibechana-58405	148	2	data	datum	NOUN
bibechana-58405	148	3	shows	show	VERB
bibechana-58405	148	4	the	the	DET
bibechana-58405	148	5	trend	trend	NOUN
bibechana-58405	148	6	κl	κl	ADJ
bibechana-58405	148	7	(	(	PUNCT
bibechana-58405	148	8	tinisn	tinisn	NOUN
bibechana-58405	148	9	)	)	PUNCT
bibechana-58405	148	10	<	<	X
bibechana-58405	148	11	κl	κl	ADJ
bibechana-58405	148	12	(	(	PUNCT
bibechana-58405	148	13	hfnisn	hfnisn	NOUN
bibechana-58405	148	14	)	)	PUNCT
bibechana-58405	148	15	<	<	X
bibechana-58405	148	16	κl	κl	ADJ
bibechana-58405	148	17	(	(	PUNCT
bibechana-58405	148	18	zrnisn	zrnisn	ADJ
bibechana-58405	148	19	)	)	PUNCT
bibechana-58405	148	20	throughout	throughout	ADP
bibechana-58405	148	21	the	the	DET
bibechana-58405	148	22	considered	consider	VERB
bibechana-58405	148	23	temperature	temperature	NOUN
bibechana-58405	148	24	range	range	NOUN
bibechana-58405	148	25	.	.	PUNCT
bibechana-58405	149	1	as	as	ADP
bibechana-58405	149	2	the	the	DET
bibechana-58405	149	3	temperature	temperature	NOUN
bibechana-58405	149	4	increases	increase	NOUN
bibechana-58405	149	5	,	,	PUNCT
bibechana-58405	149	6	the	the	DET
bibechana-58405	149	7	κl	κl	ADJ
bibechana-58405	149	8	decreases	decrease	NOUN
bibechana-58405	149	9	and	and	CCONJ
bibechana-58405	149	10	becomes	become	VERB
bibechana-58405	149	11	less	less	ADJ
bibechana-58405	149	12	temperature	temperature	NOUN
bibechana-58405	149	13	dependent	dependent	ADJ
bibechana-58405	149	14	at	at	ADP
bibechana-58405	149	15	higher	high	ADJ
bibechana-58405	149	16	temperatures	temperature	NOUN
bibechana-58405	149	17	.	.	PUNCT
bibechana-58405	150	1	this	this	PRON
bibechana-58405	150	2	is	be	AUX
bibechana-58405	150	3	because	because	SCONJ
bibechana-58405	150	4	of	of	ADP
bibechana-58405	150	5	the	the	DET
bibechana-58405	150	6	increased	increase	VERB
bibechana-58405	150	7	lattice	lattice	NOUN
bibechana-58405	150	8	scattering	scattering	NOUN
bibechana-58405	150	9	due	due	ADJ
bibechana-58405	150	10	to	to	ADP
bibechana-58405	150	11	increased	increase	VERB
bibechana-58405	150	12	anharmonicity	anharmonicity	NOUN
bibechana-58405	150	13	.	.	PUNCT
bibechana-58405	151	1	the	the	DET
bibechana-58405	151	2	greatest	great	ADJ
bibechana-58405	151	3	difference	difference	NOUN
bibechana-58405	151	4	between	between	ADP
bibechana-58405	151	5	values	value	NOUN
bibechana-58405	151	6	of	of	ADP
bibechana-58405	151	7	κl	κl	ADJ
bibechana-58405	151	8	from	from	ADP
bibechana-58405	151	9	both	both	DET
bibechana-58405	151	10	approaches	approach	NOUN
bibechana-58405	151	11	at	at	ADP
bibechana-58405	151	12	room	room	NOUN
bibechana-58405	151	13	temperatures	temperature	NOUN
bibechana-58405	151	14	is	be	AUX
bibechana-58405	151	15	for	for	ADP
bibechana-58405	151	16	tinisn	tinisn	NOUN
bibechana-58405	151	17	and	and	CCONJ
bibechana-58405	151	18	zrnisn	zrnisn	ADJ
bibechana-58405	151	19	.	.	PUNCT
bibechana-58405	152	1	the	the	DET
bibechana-58405	152	2	deviation	deviation	NOUN
bibechana-58405	152	3	in	in	ADP
bibechana-58405	152	4	values	value	NOUN
bibechana-58405	152	5	of	of	ADP
bibechana-58405	152	6	κl	κl	ADJ
bibechana-58405	152	7	between	between	ADP
bibechana-58405	152	8	tinisn	tinisn	NOUN
bibechana-58405	152	9	and	and	CCONJ
bibechana-58405	152	10	zrnisn	zrnisn	NOUN
bibechana-58405	152	11	is	be	AUX
bibechana-58405	152	12	by	by	ADP
bibechana-58405	152	13	20.97	20.97	NUM
bibechana-58405	152	14	%	%	NOUN
bibechana-58405	152	15	and	and	CCONJ
bibechana-58405	152	16	26.81	26.81	NUM
bibechana-58405	152	17	%	%	NOUN
bibechana-58405	152	18	from	from	ADP
bibechana-58405	152	19	the	the	DET
bibechana-58405	152	20	phonon	phonon	NOUN
bibechana-58405	152	21	band	band	NOUN
bibechana-58405	152	22	slope	slope	NOUN
bibechana-58405	152	23	of	of	ADP
bibechana-58405	152	24	dfpt	dfpt	NOUN
bibechana-58405	152	25	and	and	CCONJ
bibechana-58405	152	26	qha	qha	NOUN
bibechana-58405	152	27	model	model	NOUN
bibechana-58405	152	28	respectively	respectively	ADV
bibechana-58405	152	29	.	.	PUNCT
bibechana-58405	153	1	on	on	ADP
bibechana-58405	153	2	increasing	increase	VERB
bibechana-58405	153	3	temperature	temperature	NOUN
bibechana-58405	153	4	the	the	DET
bibechana-58405	153	5	deviation	deviation	NOUN
bibechana-58405	153	6	in	in	ADP
bibechana-58405	153	7	the	the	DET
bibechana-58405	153	8	values	value	NOUN
bibechana-58405	153	9	of	of	ADP
bibechana-58405	153	10	κl	κl	ADJ
bibechana-58405	153	11	decreases	decrease	NOUN
bibechana-58405	153	12	.	.	PUNCT
bibechana-58405	154	1	despite	despite	SCONJ
bibechana-58405	154	2	having	have	VERB
bibechana-58405	154	3	high	high	ADV
bibechana-58405	154	4	κl	κl	ADV
bibechana-58405	154	5	at	at	ADP
bibechana-58405	154	6	room	room	NOUN
bibechana-58405	154	7	temperature	temperature	NOUN
bibechana-58405	154	8	,	,	PUNCT
bibechana-58405	154	9	these	these	DET
bibechana-58405	154	10	compounds	compound	NOUN
bibechana-58405	154	11	exhibit	exhibit	VERB
bibechana-58405	154	12	low	low	ADV
bibechana-58405	154	13	κl	κl	ADV
bibechana-58405	154	14	at	at	ADP
bibechana-58405	154	15	elevated	elevated	ADJ
bibechana-58405	154	16	temperatures	temperature	NOUN
bibechana-58405	154	17	,	,	PUNCT
bibechana-58405	154	18	making	make	VERB
bibechana-58405	154	19	them	they	PRON
bibechana-58405	154	20	suitable	suitable	ADJ
bibechana-58405	154	21	for	for	ADP
bibechana-58405	154	22	hightemperature	hightemperature	NOUN
bibechana-58405	154	23	te	te	ADP
bibechana-58405	154	24	applications	application	NOUN
bibechana-58405	154	25	and	and	CCONJ
bibechana-58405	154	26	can	can	AUX
bibechana-58405	154	27	have	have	VERB
bibechana-58405	154	28	better	well	ADJ
bibechana-58405	154	29	zt	zt	PROPN
bibechana-58405	154	30	values	value	NOUN
bibechana-58405	154	31	.	.	PUNCT
bibechana-58405	155	1	our	our	PRON
bibechana-58405	155	2	calculated	calculate	VERB
bibechana-58405	155	3	values	value	NOUN
bibechana-58405	155	4	by	by	ADP
bibechana-58405	155	5	both	both	DET
bibechana-58405	155	6	approach	approach	NOUN
bibechana-58405	155	7	are	be	AUX
bibechana-58405	155	8	compared	compare	VERB
bibechana-58405	155	9	to	to	ADP
bibechana-58405	155	10	those	those	PRON
bibechana-58405	155	11	reported	report	VERB
bibechana-58405	155	12	in	in	ADP
bibechana-58405	155	13	quinn	quinn	PROPN
bibechana-58405	155	14	et	et	PROPN
bibechana-58405	155	15	al.[3	al.[3	PROPN
bibechana-58405	155	16	]	]	PUNCT
bibechana-58405	155	17	(	(	PUNCT
bibechana-58405	155	18	ref	ref	NOUN
bibechana-58405	155	19	.	.	PUNCT
bibechana-58405	156	1	[	[	X
bibechana-58405	156	2	3])in	3])in	NUM
bibechana-58405	156	3	table	table	NOUN
bibechana-58405	156	4	3	3	NUM
bibechana-58405	156	5	.	.	PUNCT
bibechana-58405	157	1	the	the	DET
bibechana-58405	157	2	calculated	calculated	ADJ
bibechana-58405	157	3	values	value	NOUN
bibechana-58405	157	4	of	of	ADP
bibechana-58405	157	5	κl	κl	ADJ
bibechana-58405	157	6	in	in	ADP
bibechana-58405	157	7	present	present	ADJ
bibechana-58405	157	8	work	work	NOUN
bibechana-58405	157	9	by	by	ADP
bibechana-58405	157	10	dfpt	dfpt	NOUN
bibechana-58405	157	11	approach	approach	NOUN
bibechana-58405	157	12	agree	agree	VERB
bibechana-58405	157	13	within	within	ADP
bibechana-58405	157	14	(	(	PUNCT
bibechana-58405	157	15	1.36%8.06	1.36%8.06	NUM
bibechana-58405	157	16	%	%	NOUN
bibechana-58405	157	17	)	)	PUNCT
bibechana-58405	157	18	and	and	CCONJ
bibechana-58405	157	19	values	value	NOUN
bibechana-58405	157	20	by	by	ADP
bibechana-58405	157	21	qha	qha	PROPN
bibechana-58405	157	22	model	model	NOUN
bibechana-58405	157	23	agree	agree	VERB
bibechana-58405	157	24	within	within	ADP
bibechana-58405	157	25	(	(	PUNCT
bibechana-58405	157	26	0.13%-1.65	0.13%-1.65	NOUN
bibechana-58405	157	27	%	%	NOUN
bibechana-58405	157	28	)	)	PUNCT
bibechana-58405	157	29	to	to	ADP
bibechana-58405	157	30	those	those	DET
bibechana-58405	157	31	values	value	NOUN
bibechana-58405	157	32	reported	report	VERB
bibechana-58405	157	33	in	in	ADP
bibechana-58405	157	34	ref	ref	NOUN
bibechana-58405	157	35	.	.	PUNCT
bibechana-58405	158	1	[	[	X
bibechana-58405	158	2	3	3	NUM
bibechana-58405	158	3	]	]	PUNCT
bibechana-58405	158	4	.	.	PUNCT
bibechana-58405	159	1	the	the	DET
bibechana-58405	159	2	κl	κl	ADJ
bibechana-58405	159	3	values	value	NOUN
bibechana-58405	159	4	reported	report	VERB
bibechana-58405	159	5	in	in	ADP
bibechana-58405	159	6	ref	ref	NOUN
bibechana-58405	159	7	.	.	PUNCT
bibechana-58405	160	1	[	[	X
bibechana-58405	160	2	3	3	X
bibechana-58405	160	3	]	]	PUNCT
bibechana-58405	160	4	used	use	VERB
bibechana-58405	160	5	debye	debye	PROPN
bibechana-58405	160	6	callaway	callaway	PROPN
bibechana-58405	160	7	’s	’s	PART
bibechana-58405	160	8	model	model	PROPN
bibechana-58405	160	9	considering	consider	VERB
bibechana-58405	160	10	umklapp	umklapp	ADJ
bibechana-58405	160	11	scattering	scatter	VERB
bibechana-58405	160	12	only	only	ADV
bibechana-58405	160	13	.	.	PUNCT
bibechana-58405	161	1	however	however	ADV
bibechana-58405	161	2	,	,	PUNCT
bibechana-58405	161	3	if	if	SCONJ
bibechana-58405	161	4	grain	grain	NOUN
bibechana-58405	161	5	boundaries	boundary	NOUN
bibechana-58405	161	6	,	,	PUNCT
bibechana-58405	161	7	point	point	NOUN
bibechana-58405	161	8	defects	defect	NOUN
bibechana-58405	161	9	,	,	PUNCT
bibechana-58405	161	10	and	and	CCONJ
bibechana-58405	161	11	electron	electron	NOUN
bibechana-58405	161	12	-	-	PUNCT
bibechana-58405	161	13	phonon	phonon	NOUN
bibechana-58405	161	14	interactions	interaction	NOUN
bibechana-58405	161	15	were	be	AUX
bibechana-58405	161	16	accounted	account	VERB
bibechana-58405	161	17	,	,	PUNCT
bibechana-58405	161	18	κl	κl	ADJ
bibechana-58405	161	19	values	value	NOUN
bibechana-58405	161	20	would	would	AUX
bibechana-58405	161	21	be	be	AUX
bibechana-58405	161	22	much	much	ADV
bibechana-58405	161	23	lower	low	ADJ
bibechana-58405	161	24	.	.	PUNCT
bibechana-58405	162	1	phono3py	phono3py	VERB
bibechana-58405	162	2	,	,	PUNCT
bibechana-58405	162	3	solving	solve	VERB
bibechana-58405	162	4	boltzmann	boltzmann	NOUN
bibechana-58405	162	5	transport	transport	NOUN
bibechana-58405	162	6	equation	equation	NOUN
bibechana-58405	162	7	using	use	VERB
bibechana-58405	162	8	the	the	DET
bibechana-58405	162	9	relaxation	relaxation	NOUN
bibechana-58405	162	10	-	-	PUNCT
bibechana-58405	162	11	time	time	NOUN
bibechana-58405	162	12	approximation	approximation	NOUN
bibechana-58405	162	13	(	(	PUNCT
bibechana-58405	162	14	rta	rta	NOUN
bibechana-58405	162	15	-	-	PUNCT
bibechana-58405	162	16	bte	bte	NOUN
bibechana-58405	162	17	)	)	PUNCT
bibechana-58405	162	18	,	,	PUNCT
bibechana-58405	162	19	reports	report	VERB
bibechana-58405	162	20	κl	κl	ADJ
bibechana-58405	162	21	values	value	NOUN
bibechana-58405	162	22	<	<	X
bibechana-58405	162	23	10	10	NUM
bibechana-58405	162	24	wm−1k−1	wm−1k−1	ADV
bibechana-58405	162	25	for	for	ADP
bibechana-58405	162	26	these	these	DET
bibechana-58405	162	27	compounds	compound	NOUN
bibechana-58405	162	28	by	by	ADP
bibechana-58405	162	29	considering	consider	VERB
bibechana-58405	162	30	anharmonicity	anharmonicity	NOUN
bibechana-58405	162	31	resulting	result	VERB
bibechana-58405	162	32	from	from	ADP
bibechana-58405	162	33	phonon	phonon	NOUN
bibechana-58405	162	34	-	-	PUNCT
bibechana-58405	162	35	phonon	phonon	NOUN
bibechana-58405	162	36	scattering	scattering	NOUN
bibechana-58405	162	37	,	,	PUNCT
bibechana-58405	162	38	mass	mass	ADJ
bibechana-58405	162	39	disorder	disorder	NOUN
bibechana-58405	162	40	and	and	CCONJ
bibechana-58405	162	41	grain	grain	NOUN
bibechana-58405	162	42	boundary	boundary	ADJ
bibechana-58405	162	43	effects	effect	NOUN
bibechana-58405	162	44	[	[	X
bibechana-58405	162	45	48	48	NUM
bibechana-58405	162	46	,	,	PUNCT
bibechana-58405	162	47	49	49	NUM
bibechana-58405	162	48	]	]	PUNCT
bibechana-58405	162	49	.	.	PUNCT
bibechana-58405	163	1	the	the	DET
bibechana-58405	163	2	values	value	NOUN
bibechana-58405	163	3	κl	κl	ADV
bibechana-58405	163	4	are	be	AUX
bibechana-58405	163	5	14.5	14.5	NUM
bibechana-58405	163	6	,	,	PUNCT
bibechana-58405	163	7	16.7	16.7	NUM
bibechana-58405	163	8	and	and	CCONJ
bibechana-58405	163	9	15.3	15.3	NUM
bibechana-58405	163	10	wm−1k−1	wm−1k−1	SCONJ
bibechana-58405	163	11	calculated	calculate	VERB
bibechana-58405	163	12	by	by	ADP
bibechana-58405	163	13	rtapbe	rtapbe	ADJ
bibechana-58405	163	14	approach	approach	NOUN
bibechana-58405	163	15	[	[	X
bibechana-58405	163	16	24	24	NUM
bibechana-58405	163	17	]	]	PUNCT
bibechana-58405	163	18	,	,	PUNCT
bibechana-58405	163	19	17	17	NUM
bibechana-58405	163	20	,	,	PUNCT
bibechana-58405	163	21	18	18	NUM
bibechana-58405	163	22	,	,	PUNCT
bibechana-58405	163	23	19	19	NUM
bibechana-58405	163	24	wm−1k−1	wm−1k−1	VERB
bibechana-58405	163	25	by	by	ADP
bibechana-58405	163	26	dft	dft	NOUN
bibechana-58405	163	27	and	and	CCONJ
bibechana-58405	163	28	machine	machine	NOUN
bibechana-58405	163	29	learning	learn	VERB
bibechana-58405	163	30	[	[	X
bibechana-58405	163	31	23	23	NUM
bibechana-58405	163	32	]	]	PUNCT
bibechana-58405	163	33	and	and	CCONJ
bibechana-58405	163	34	16.8	16.8	NUM
bibechana-58405	163	35	,	,	PUNCT
bibechana-58405	163	36	17.5	17.5	NUM
bibechana-58405	163	37	and	and	CCONJ
bibechana-58405	163	38	19.5	19.5	NUM
bibechana-58405	163	39	wm−1k−1	wm−1k−1	VERB
bibechana-58405	163	40	by	by	ADP
bibechana-58405	163	41	machine	machine	NOUN
bibechana-58405	163	42	learning	learn	VERB
bibechana-58405	163	43	algorithm	algorithm	NOUN
bibechana-58405	164	1	[	[	X
bibechana-58405	164	2	25	25	NUM
bibechana-58405	164	3	]	]	PUNCT
bibechana-58405	164	4	for	for	ADP
bibechana-58405	164	5	tinisn	tinisn	NOUN
bibechana-58405	164	6	,	,	PUNCT
bibechana-58405	164	7	zrnisn	zrnisn	NUM
bibechana-58405	164	8	and	and	CCONJ
bibechana-58405	164	9	hfnisn	hfnisn	VERB
bibechana-58405	164	10	respectively	respectively	ADV
bibechana-58405	164	11	are	be	AUX
bibechana-58405	164	12	lesser	less	ADJ
bibechana-58405	164	13	κl	κl	ADV
bibechana-58405	164	14	than	than	ADP
bibechana-58405	164	15	our	our	PRON
bibechana-58405	164	16	calculated	calculate	VERB
bibechana-58405	164	17	values	value	NOUN
bibechana-58405	164	18	.	.	PUNCT
bibechana-58405	165	1	although	although	SCONJ
bibechana-58405	165	2	our	our	PRON
bibechana-58405	165	3	data	datum	NOUN
bibechana-58405	165	4	agrees	agree	VERB
bibechana-58405	165	5	the	the	DET
bibechana-58405	165	6	trend	trend	NOUN
bibechana-58405	165	7	with	with	ADP
bibechana-58405	165	8	these	these	DET
bibechana-58405	165	9	literature	literature	NOUN
bibechana-58405	165	10	but	but	CCONJ
bibechana-58405	165	11	are	be	AUX
bibechana-58405	165	12	highly	highly	ADV
bibechana-58405	165	13	overestimated	overestimated	ADJ
bibechana-58405	165	14	.	.	PUNCT
bibechana-58405	166	1	slack	slack	PROPN
bibechana-58405	166	2	’s	’s	PART
bibechana-58405	166	3	model	model	PROPN
bibechana-58405	166	4	shows	show	VERB
bibechana-58405	166	5	a	a	DET
bibechana-58405	166	6	similar	similar	ADJ
bibechana-58405	166	7	tendency	tendency	NOUN
bibechana-58405	166	8	to	to	PART
bibechana-58405	166	9	overestimate	overestimate	VERB
bibechana-58405	166	10	κl	κl	ADJ
bibechana-58405	166	11	values	value	NOUN
bibechana-58405	166	12	in	in	ADP
bibechana-58405	166	13	comparison	comparison	NOUN
bibechana-58405	166	14	to	to	PART
bibechana-58405	166	15	shengbte	shengbte	VERB
bibechana-58405	166	16	for	for	ADP
bibechana-58405	166	17	nbfesb	nbfesb	NOUN
bibechana-58405	166	18	and	and	CCONJ
bibechana-58405	166	19	tafesb	tafesb	PROPN
bibechana-58405	166	20	.	.	PUNCT
bibechana-58405	167	1	the	the	DET
bibechana-58405	167	2	κl	κl	ADJ
bibechana-58405	167	3	for	for	ADP
bibechana-58405	167	4	nbfesb	nbfesb	NOUN
bibechana-58405	167	5	and	and	CCONJ
bibechana-58405	167	6	tafesb	tafesb	PROPN
bibechana-58405	167	7	at	at	ADP
bibechana-58405	167	8	room	room	NOUN
bibechana-58405	167	9	temperature	temperature	NOUN
bibechana-58405	167	10	,	,	PUNCT
bibechana-58405	167	11	as	as	SCONJ
bibechana-58405	167	12	estimated	estimate	VERB
bibechana-58405	167	13	by	by	ADP
bibechana-58405	167	14	shengbte	shengbte	NOUN
bibechana-58405	167	15	,	,	PUNCT
bibechana-58405	167	16	are	be	AUX
bibechana-58405	167	17	approximately	approximately	ADV
bibechana-58405	167	18	22	22	NUM
bibechana-58405	167	19	and	and	CCONJ
bibechana-58405	167	20	21	21	NUM
bibechana-58405	167	21	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	167	22	,	,	PUNCT
bibechana-58405	167	23	while	while	SCONJ
bibechana-58405	167	24	those	those	PRON
bibechana-58405	167	25	predicted	predict	VERB
bibechana-58405	167	26	by	by	ADP
bibechana-58405	167	27	slack	slack	NOUN
bibechana-58405	167	28	’s	’s	PART
bibechana-58405	167	29	model	model	NOUN
bibechana-58405	167	30	are	be	AUX
bibechana-58405	167	31	higher	high	ADJ
bibechana-58405	167	32	at	at	ADP
bibechana-58405	167	33	24	24	NUM
bibechana-58405	167	34	and	and	CCONJ
bibechana-58405	167	35	26	26	NUM
bibechana-58405	167	36	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	167	37	,	,	PUNCT
bibechana-58405	167	38	respectively	respectively	ADV
bibechana-58405	167	39	[	[	X
bibechana-58405	167	40	45	45	NUM
bibechana-58405	167	41	]	]	PUNCT
bibechana-58405	167	42	.	.	PUNCT
bibechana-58405	168	1	slack	slack	PROPN
bibechana-58405	168	2	’s	’s	PART
bibechana-58405	168	3	model	model	NOUN
bibechana-58405	168	4	predicts	predict	NOUN
bibechana-58405	168	5	higher	high	ADJ
bibechana-58405	168	6	κl	κl	ADJ
bibechana-58405	168	7	values	value	NOUN
bibechana-58405	168	8	(	(	PUNCT
bibechana-58405	168	9	12.69	12.69	NUM
bibechana-58405	168	10	,	,	PUNCT
bibechana-58405	168	11	18.26	18.26	NUM
bibechana-58405	168	12	,	,	PUNCT
bibechana-58405	168	13	and	and	CCONJ
bibechana-58405	168	14	20.83	20.83	NUM
bibechana-58405	168	15	)	)	PUNCT
bibechana-58405	168	16	wm−1k−1	wm−1k−1	VERB
bibechana-58405	168	17	for	for	ADP
bibechana-58405	168	18	mcobi	mcobi	PROPN
bibechana-58405	168	19	(	(	PUNCT
bibechana-58405	168	20	m	m	PROPN
bibechana-58405	168	21	=	=	SYM
bibechana-58405	168	22	ti	ti	PROPN
bibechana-58405	168	23	,	,	PUNCT
bibechana-58405	168	24	zr	zr	NOUN
bibechana-58405	168	25	,	,	PUNCT
bibechana-58405	168	26	and	and	CCONJ
bibechana-58405	168	27	hf	hf	ADP
bibechana-58405	168	28	)	)	PUNCT
bibechana-58405	168	29	in	in	ADP
bibechana-58405	168	30	ref	ref	NOUN
bibechana-58405	168	31	.	.	PUNCT
bibechana-58405	169	1	[	[	X
bibechana-58405	169	2	50	50	NUM
bibechana-58405	169	3	]	]	PUNCT
bibechana-58405	169	4	compared	compare	VERB
bibechana-58405	169	5	to	to	ADP
bibechana-58405	169	6	the	the	DET
bibechana-58405	169	7	values	value	NOUN
bibechana-58405	169	8	(	(	PUNCT
bibechana-58405	169	9	11.02	11.02	NUM
bibechana-58405	169	10	,	,	PUNCT
bibechana-58405	169	11	11.14	11.14	NUM
bibechana-58405	169	12	,	,	PUNCT
bibechana-58405	169	13	and	and	CCONJ
bibechana-58405	169	14	10.43	10.43	NUM
bibechana-58405	169	15	)	)	PUNCT
bibechana-58405	169	16	wm−1k−1	wm−1k−1	ADP
bibechana-58405	169	17	in	in	ADP
bibechana-58405	169	18	ref	ref	NOUN
bibechana-58405	169	19	.	.	PUNCT
bibechana-58405	170	1	[	[	X
bibechana-58405	170	2	51	51	NUM
bibechana-58405	170	3	]	]	PUNCT
bibechana-58405	170	4	.	.	PUNCT
bibechana-58405	171	1	slack	slack	PROPN
bibechana-58405	171	2	’s	’s	PART
bibechana-58405	171	3	method	method	NOUN
bibechana-58405	171	4	offers	offer	VERB
bibechana-58405	171	5	the	the	DET
bibechana-58405	171	6	main	main	ADJ
bibechana-58405	171	7	advantage	advantage	NOUN
bibechana-58405	171	8	of	of	ADP
bibechana-58405	171	9	being	be	AUX
bibechana-58405	171	10	computationally	computationally	ADV
bibechana-58405	171	11	intensive	intensive	ADJ
bibechana-58405	171	12	,	,	PUNCT
bibechana-58405	171	13	but	but	CCONJ
bibechana-58405	171	14	gives	give	VERB
bibechana-58405	171	15	only	only	ADV
bibechana-58405	171	16	a	a	DET
bibechana-58405	171	17	rough	rough	ADJ
bibechana-58405	171	18	estimate	estimate	NOUN
bibechana-58405	171	19	and	and	CCONJ
bibechana-58405	171	20	lacks	lack	VERB
bibechana-58405	171	21	accuracy	accuracy	NOUN
bibechana-58405	171	22	for	for	ADP
bibechana-58405	171	23	κl	κl	NOUN
bibechana-58405	171	24	.	.	PUNCT
bibechana-58405	172	1	the	the	DET
bibechana-58405	172	2	main	main	ADJ
bibechana-58405	172	3	drawback	drawback	NOUN
bibechana-58405	172	4	is	be	AUX
bibechana-58405	172	5	that	that	SCONJ
bibechana-58405	172	6	κl	κl	ADJ
bibechana-58405	172	7	is	be	AUX
bibechana-58405	172	8	indirectly	indirectly	ADV
bibechana-58405	172	9	derived	derive	VERB
bibechana-58405	172	10	from	from	ADP
bibechana-58405	172	11	either	either	CCONJ
bibechana-58405	172	12	elastic	elastic	ADJ
bibechana-58405	172	13	constants	constant	NOUN
bibechana-58405	172	14	or	or	CCONJ
bibechana-58405	172	15	acoustic	acoustic	ADJ
bibechana-58405	172	16	phonons	phonon	NOUN
bibechana-58405	172	17	[	[	X
bibechana-58405	172	18	45	45	NUM
bibechana-58405	172	19	,	,	PUNCT
bibechana-58405	172	20	49	49	NUM
bibechana-58405	172	21	]	]	PUNCT
bibechana-58405	172	22	.	.	PUNCT
bibechana-58405	173	1	despite	despite	SCONJ
bibechana-58405	173	2	having	have	VERB
bibechana-58405	173	3	limited	limited	ADJ
bibechana-58405	173	4	heat	heat	NOUN
bibechana-58405	173	5	transfer	transfer	NOUN
bibechana-58405	173	6	capabilities	capability	NOUN
bibechana-58405	173	7	,	,	PUNCT
bibechana-58405	173	8	modes	mode	NOUN
bibechana-58405	173	9	related	relate	VERB
bibechana-58405	173	10	to	to	ADP
bibechana-58405	173	11	the	the	DET
bibechana-58405	173	12	optical	optical	ADJ
bibechana-58405	173	13	branch	branch	NOUN
bibechana-58405	173	14	can	can	AUX
bibechana-58405	173	15	influence	influence	VERB
bibechana-58405	173	16	κl	κl	ADV
bibechana-58405	173	17	by	by	ADP
bibechana-58405	173	18	interacting	interact	VERB
bibechana-58405	173	19	with	with	ADP
bibechana-58405	173	20	acoustic	acoustic	ADJ
bibechana-58405	173	21	vibrations	vibration	NOUN
bibechana-58405	173	22	.	.	PUNCT
bibechana-58405	174	1	slack	slack	NOUN
bibechana-58405	174	2	’s	’s	PART
bibechana-58405	174	3	method	method	NOUN
bibechana-58405	174	4	efficiently	efficiently	ADV
bibechana-58405	174	5	predicts	predict	VERB
bibechana-58405	174	6	both	both	CCONJ
bibechana-58405	174	7	extremely	extremely	ADV
bibechana-58405	174	8	low	low	ADJ
bibechana-58405	174	9	and	and	CCONJ
bibechana-58405	174	10	high	high	ADJ
bibechana-58405	174	11	κl	κl	ADJ
bibechana-58405	174	12	for	for	ADP
bibechana-58405	174	13	compounds	compound	NOUN
bibechana-58405	174	14	in	in	ADP
bibechana-58405	174	15	high	high	ADJ
bibechana-58405	174	16	-	-	PUNCT
bibechana-58405	174	17	throughput	throughput	NOUN
bibechana-58405	174	18	computations	computation	NOUN
bibechana-58405	174	19	,	,	PUNCT
bibechana-58405	174	20	particularly	particularly	ADV
bibechana-58405	174	21	in	in	ADP
bibechana-58405	174	22	the	the	DET
bibechana-58405	174	23	identification	identification	NOUN
bibechana-58405	174	24	of	of	ADP
bibechana-58405	174	25	potential	potential	ADJ
bibechana-58405	174	26	thermoelectric	thermoelectric	ADJ
bibechana-58405	174	27	materials	material	NOUN
bibechana-58405	174	28	.	.	PUNCT
bibechana-58405	175	1	the	the	DET
bibechana-58405	175	2	experimental	experimental	ADJ
bibechana-58405	175	3	κl	κl	ADJ
bibechana-58405	175	4	values	value	NOUN
bibechana-58405	175	5	are	be	AUX
bibechana-58405	175	6	significantly	significantly	ADV
bibechana-58405	175	7	lower	low	ADJ
bibechana-58405	175	8	because	because	SCONJ
bibechana-58405	175	9	even	even	ADV
bibechana-58405	175	10	if	if	SCONJ
bibechana-58405	175	11	the	the	DET
bibechana-58405	175	12	impurity	impurity	NOUN
bibechana-58405	175	13	concentrations	concentration	NOUN
bibechana-58405	175	14	are	be	AUX
bibechana-58405	175	15	very	very	ADV
bibechana-58405	175	16	low	low	ADJ
bibechana-58405	175	17	,	,	PUNCT
bibechana-58405	175	18	the	the	DET
bibechana-58405	175	19	presence	presence	NOUN
bibechana-58405	175	20	of	of	ADP
bibechana-58405	175	21	small	small	ADJ
bibechana-58405	175	22	amounts	amount	NOUN
bibechana-58405	175	23	of	of	ADP
bibechana-58405	175	24	interstitial	interstitial	NOUN
bibechana-58405	175	25	can	can	AUX
bibechana-58405	175	26	cause	cause	VERB
bibechana-58405	175	27	significant	significant	ADJ
bibechana-58405	175	28	disorder	disorder	NOUN
bibechana-58405	175	29	,	,	PUNCT
bibechana-58405	175	30	leading	lead	VERB
bibechana-58405	175	31	to	to	ADP
bibechana-58405	175	32	a	a	DET
bibechana-58405	175	33	substantial	substantial	ADJ
bibechana-58405	175	34	reduction	reduction	NOUN
bibechana-58405	175	35	in	in	ADP
bibechana-58405	175	36	κl	κl	ADJ
bibechana-58405	175	37	[	[	X
bibechana-58405	175	38	2	2	NUM
bibechana-58405	175	39	,	,	PUNCT
bibechana-58405	175	40	26	26	NUM
bibechana-58405	175	41	]	]	PUNCT
bibechana-58405	175	42	.	.	PUNCT
bibechana-58405	176	1	in	in	ADP
bibechana-58405	176	2	order	order	NOUN
bibechana-58405	176	3	to	to	PART
bibechana-58405	176	4	achieve	achieve	VERB
bibechana-58405	176	5	closer	close	ADJ
bibechana-58405	176	6	agreement	agreement	NOUN
bibechana-58405	176	7	between	between	ADP
bibechana-58405	176	8	computational	computational	ADJ
bibechana-58405	176	9	results	result	NOUN
bibechana-58405	176	10	and	and	CCONJ
bibechana-58405	176	11	experimental	experimental	ADJ
bibechana-58405	176	12	values	value	NOUN
bibechana-58405	176	13	for	for	ADP
bibechana-58405	176	14	κl	κl	ADJ
bibechana-58405	176	15	,	,	PUNCT
bibechana-58405	176	16	the	the	DET
bibechana-58405	176	17	consideration	consideration	NOUN
bibechana-58405	176	18	of	of	ADP
bibechana-58405	176	19	phonon	phonon	NOUN
bibechana-58405	176	20	scattering	scattering	NOUN
bibechana-58405	176	21	is	be	AUX
bibechana-58405	176	22	essential	essential	ADJ
bibechana-58405	176	23	.	.	PUNCT
bibechana-58405	177	1	prakash	prakash	PROPN
bibechana-58405	177	2	khatri	khatri	PROPN
bibechana-58405	177	3	and	and	CCONJ
bibechana-58405	177	4	n.	n.	PROPN
bibechana-58405	177	5	p.	p.	NOUN
bibechana-58405	178	1	adhikari/	adhikari/	NUM
bibechana-58405	178	2	bibechana	bibechana	NOUN
bibechana-58405	178	3	21	21	NUM
bibechana-58405	178	4	(	(	PUNCT
bibechana-58405	178	5	2024	2024	NUM
bibechana-58405	178	6	)	)	PUNCT
bibechana-58405	178	7	12	12	NUM
bibechana-58405	178	8	-	-	SYM
bibechana-58405	178	9	22	22	NUM
bibechana-58405	178	10	19	19	NUM
bibechana-58405	178	11	table	table	NOUN
bibechana-58405	178	12	3	3	NUM
bibechana-58405	178	13	:	:	PUNCT
bibechana-58405	178	14	comparison	comparison	NOUN
bibechana-58405	178	15	of	of	ADP
bibechana-58405	178	16	physical	physical	ADJ
bibechana-58405	178	17	properties	property	NOUN
bibechana-58405	178	18	of	of	ADP
bibechana-58405	178	19	xnisn	xnisn	PROPN
bibechana-58405	178	20	(	(	PUNCT
bibechana-58405	178	21	x	x	X
bibechana-58405	178	22	=	=	SYM
bibechana-58405	178	23	ti	ti	NOUN
bibechana-58405	178	24	,	,	PUNCT
bibechana-58405	178	25	zr	zr	PROPN
bibechana-58405	178	26	,	,	PUNCT
bibechana-58405	178	27	hf	hf	NOUN
bibechana-58405	178	28	)	)	PUNCT
bibechana-58405	178	29	computed	compute	VERB
bibechana-58405	178	30	using	use	VERB
bibechana-58405	178	31	phonon	phonon	NOUN
bibechana-58405	178	32	band	band	NOUN
bibechana-58405	178	33	slopes	slope	NOUN
bibechana-58405	178	34	in	in	ADP
bibechana-58405	178	35	dfpt	dfpt	NOUN
bibechana-58405	178	36	and	and	CCONJ
bibechana-58405	178	37	qha	qha	NOUN
bibechana-58405	178	38	in	in	ADP
bibechana-58405	178	39	thermo_pw	thermo_pw	PROPN
bibechana-58405	178	40	codes	code	NOUN
bibechana-58405	178	41	,	,	PUNCT
bibechana-58405	178	42	along	along	ADP
bibechana-58405	178	43	with	with	ADP
bibechana-58405	178	44	a	a	DET
bibechana-58405	178	45	comparison	comparison	NOUN
bibechana-58405	178	46	to	to	ADP
bibechana-58405	178	47	ref.[3	ref.[3	NOUN
bibechana-58405	178	48	]	]	PUNCT
bibechana-58405	178	49	that	that	PRON
bibechana-58405	178	50	reported	report	VERB
bibechana-58405	178	51	κl	κl	ADJ
bibechana-58405	178	52	values	value	NOUN
bibechana-58405	178	53	for	for	ADP
bibechana-58405	178	54	defect	defect	NOUN
bibechana-58405	178	55	-	-	PUNCT
bibechana-58405	178	56	free	free	ADJ
bibechana-58405	178	57	compositions	composition	NOUN
bibechana-58405	178	58	based	base	VERB
bibechana-58405	178	59	on	on	ADP
bibechana-58405	178	60	the	the	DET
bibechana-58405	178	61	debye	debye	ADJ
bibechana-58405	178	62	-	-	PUNCT
bibechana-58405	178	63	callaway	callaway	PROPN
bibechana-58405	178	64	model	model	PROPN
bibechana-58405	178	65	considering	consider	VERB
bibechana-58405	178	66	umklapp	umklapp	ADJ
bibechana-58405	178	67	scattering	scattering	NOUN
bibechana-58405	178	68	.	.	PUNCT
bibechana-58405	179	1	compound	compound	NOUN
bibechana-58405	179	2	approach	approach	NOUN
bibechana-58405	179	3	vl	vl	PROPN
bibechana-58405	179	4	(	(	PUNCT
bibechana-58405	179	5	m	m	PROPN
bibechana-58405	179	6	/	/	SYM
bibechana-58405	179	7	s	s	PART
bibechana-58405	179	8	)	)	PUNCT
bibechana-58405	179	9	vt	vt	PROPN
bibechana-58405	179	10	(	(	PUNCT
bibechana-58405	179	11	m	m	PROPN
bibechana-58405	179	12	/	/	SYM
bibechana-58405	179	13	s	s	NOUN
bibechana-58405	179	14	)	)	PUNCT
bibechana-58405	179	15	v	v	NOUN
bibechana-58405	179	16	(	(	PUNCT
bibechana-58405	179	17	m	m	PROPN
bibechana-58405	179	18	/	/	SYM
bibechana-58405	179	19	s	s	PART
bibechana-58405	179	20	)	)	PUNCT
bibechana-58405	179	21	θd	θd	PROPN
bibechana-58405	179	22	(	(	PUNCT
bibechana-58405	179	23	k	k	NOUN
bibechana-58405	179	24	)	)	PUNCT
bibechana-58405	179	25	γ	γ	PROPN
bibechana-58405	179	26	κl	κl	ADJ
bibechana-58405	179	27	(	(	PUNCT
bibechana-58405	179	28	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	179	29	)	)	PUNCT
bibechana-58405	179	30	tinisn	tinisn	NOUN
bibechana-58405	179	31	slopes	slope	NOUN
bibechana-58405	179	32	6060.54	6060.54	NUM
bibechana-58405	179	33	3358.89	3358.89	NUM
bibechana-58405	179	34	3741.69	3741.69	NUM
bibechana-58405	179	35	428.51	428.51	NUM
bibechana-58405	179	36	1.64	1.64	NUM
bibechana-58405	179	37	28.61	28.61	NUM
bibechana-58405	179	38	thermo_pw	thermo_pw	X
bibechana-58405	179	39	5672.68	5672.68	NUM
bibechana-58405	179	40	3125.60	3125.60	NUM
bibechana-58405	179	41	3467.67	3467.67	NUM
bibechana-58405	179	42	397.13	397.13	NUM
bibechana-58405	179	43	1.47	1.47	NUM
bibechana-58405	179	44	29.04	29.04	NUM
bibechana-58405	179	45	ref.[3	ref.[3	NOUN
bibechana-58405	179	46	]	]	PUNCT
bibechana-58405	179	47	5426.00	5426.00	NUM
bibechana-58405	179	48	3062.00	3062.00	NUM
bibechana-58405	179	49	3406.00	3406.00	NUM
bibechana-58405	179	50	392.00	392.00	NUM
bibechana-58405	179	51	1.58	1.58	NUM
bibechana-58405	179	52	29.00	29.00	NUM
bibechana-58405	179	53	zrnisn	zrnisn	PROPN
bibechana-58405	179	54	slopes	slope	NOUN
bibechana-58405	179	55	6021.41	6021.41	NUM
bibechana-58405	179	56	3380.13	3380.13	NUM
bibechana-58405	179	57	3761.50	3761.50	NUM
bibechana-58405	179	58	417.54	417.54	NUM
bibechana-58405	179	59	1.60	1.60	NUM
bibechana-58405	179	60	34.61	34.61	NUM
bibechana-58405	179	61	thermo_pw	thermo_pw	PROPN
bibechana-58405	179	62	5103.90	5103.90	NUM
bibechana-58405	179	63	3069.61	3069.61	NUM
bibechana-58405	179	64	3394.99	3394.99	NUM
bibechana-58405	179	65	376.85	376.85	NUM
bibechana-58405	179	66	1.37	1.37	NUM
bibechana-58405	179	67	36.79	36.79	NUM
bibechana-58405	179	68	ref.[3	ref.[3	NOUN
bibechana-58405	179	69	]	]	PUNCT
bibechana-58405	179	70	5498.00	5498.00	NUM
bibechana-58405	179	71	3149.00	3149.00	NUM
bibechana-58405	179	72	3498.00	3498.00	NUM
bibechana-58405	179	73	390.00	390.00	NUM
bibechana-58405	179	74	1.53	1.53	NUM
bibechana-58405	179	75	37.40	37.40	NUM
bibechana-58405	179	76	hfnisn	hfnisn	ADJ
bibechana-58405	179	77	slopes	slope	NOUN
bibechana-58405	179	78	4900.15	4900.15	NUM
bibechana-58405	179	79	2815.22	2815.22	NUM
bibechana-58405	179	80	3126.77	3126.77	NUM
bibechana-58405	179	81	348.65	348.65	NUM
bibechana-58405	179	82	1.51	1.51	NUM
bibechana-58405	179	83	29.85	29.85	NUM
bibechana-58405	179	84	thermo_pw	thermo_pw	PROPN
bibechana-58405	179	85	4674.76	4674.76	NUM
bibechana-58405	179	86	2752.94	2752.94	NUM
bibechana-58405	179	87	3049.43	3049.43	NUM
bibechana-58405	179	88	339.99	339.99	NUM
bibechana-58405	179	89	1.43	1.43	NUM
bibechana-58405	179	90	31.59	31.59	NUM
bibechana-58405	179	91	ref.[3	ref.[3	NOUN
bibechana-58405	179	92	]	]	PUNCT
bibechana-58405	179	93	4191.00	4191.00	NUM
bibechana-58405	179	94	2503.00	2503.00	NUM
bibechana-58405	179	95	2770.00	2770.00	NUM
bibechana-58405	179	96	311.00	311.00	NUM
bibechana-58405	179	97	1.38	1.38	NUM
bibechana-58405	179	98	31.40	31.40	NUM
bibechana-58405	179	99	figure	figure	NOUN
bibechana-58405	179	100	5	5	NUM
bibechana-58405	179	101	:	:	PUNCT
bibechana-58405	179	102	variation	variation	NOUN
bibechana-58405	179	103	of	of	ADP
bibechana-58405	179	104	lattice	lattice	ADJ
bibechana-58405	179	105	thermal	thermal	ADJ
bibechana-58405	179	106	conductivity	conductivity	NOUN
bibechana-58405	179	107	of	of	ADP
bibechana-58405	179	108	xnisn	xnisn	PROPN
bibechana-58405	179	109	compounds	compound	NOUN
bibechana-58405	179	110	with	with	ADP
bibechana-58405	179	111	temperature	temperature	NOUN
bibechana-58405	179	112	using	use	VERB
bibechana-58405	179	113	slack	slack	NOUN
bibechana-58405	179	114	’s	’s	PART
bibechana-58405	179	115	model	model	NOUN
bibechana-58405	179	116	with	with	ADP
bibechana-58405	179	117	velocity	velocity	NOUN
bibechana-58405	179	118	determined	determine	VERB
bibechana-58405	179	119	from	from	ADP
bibechana-58405	179	120	phonon	phonon	NOUN
bibechana-58405	179	121	bands	band	NOUN
bibechana-58405	179	122	by	by	ADP
bibechana-58405	179	123	dfpt	dfpt	NOUN
bibechana-58405	179	124	and	and	CCONJ
bibechana-58405	179	125	qha	qha	NOUN
bibechana-58405	179	126	model	model	NOUN
bibechana-58405	179	127	in	in	ADP
bibechana-58405	179	128	thermo_pw	thermo_pw	PROPN
bibechana-58405	179	129	suite	suite	NOUN
bibechana-58405	179	130	.	.	PUNCT
bibechana-58405	180	1	4	4	NUM
bibechana-58405	180	2	conclusions	conclusion	NOUN
bibechana-58405	180	3	and	and	CCONJ
bibechana-58405	180	4	concluding	concluding	NOUN
bibechana-58405	180	5	remarks	remark	VERB
bibechana-58405	180	6	the	the	DET
bibechana-58405	180	7	properties	property	NOUN
bibechana-58405	180	8	of	of	ADP
bibechana-58405	180	9	xnisn	xnisn	PROPN
bibechana-58405	180	10	compounds	compound	NOUN
bibechana-58405	180	11	,	,	PUNCT
bibechana-58405	180	12	such	such	ADJ
bibechana-58405	180	13	as	as	ADP
bibechana-58405	180	14	their	their	PRON
bibechana-58405	180	15	structural	structural	ADJ
bibechana-58405	180	16	,	,	PUNCT
bibechana-58405	180	17	electronic	electronic	ADJ
bibechana-58405	180	18	,	,	PUNCT
bibechana-58405	180	19	magnetic	magnetic	ADJ
bibechana-58405	180	20	and	and	CCONJ
bibechana-58405	180	21	phonon	phonon	NOUN
bibechana-58405	180	22	characteristics	characteristic	NOUN
bibechana-58405	180	23	,	,	PUNCT
bibechana-58405	180	24	are	be	AUX
bibechana-58405	180	25	computed	compute	VERB
bibechana-58405	180	26	through	through	ADP
bibechana-58405	180	27	dft	dft	PROPN
bibechana-58405	180	28	and	and	CCONJ
bibechana-58405	180	29	dfpt	dfpt	NOUN
bibechana-58405	180	30	.	.	PUNCT
bibechana-58405	181	1	the	the	DET
bibechana-58405	181	2	calculated	calculate	VERB
bibechana-58405	181	3	equilibrium	equilibrium	NOUN
bibechana-58405	181	4	lattice	lattice	PROPN
bibechana-58405	181	5	constants	constant	NOUN
bibechana-58405	181	6	for	for	ADP
bibechana-58405	181	7	tinisn	tinisn	NOUN
bibechana-58405	181	8	,	,	PUNCT
bibechana-58405	181	9	zrnisn	zrnisn	PROPN
bibechana-58405	181	10	and	and	CCONJ
bibechana-58405	181	11	hfnisn	hfnisn	ADJ
bibechana-58405	181	12	are	be	AUX
bibechana-58405	181	13	5.958å	5.958å	NUM
bibechana-58405	181	14	,	,	PUNCT
bibechana-58405	181	15	6.154å	6.154å	NUM
bibechana-58405	181	16	,	,	PUNCT
bibechana-58405	181	17	6.113å	6.113å	NUM
bibechana-58405	181	18	respectively	respectively	ADV
bibechana-58405	181	19	.	.	PUNCT
bibechana-58405	182	1	our	our	PRON
bibechana-58405	182	2	study	study	NOUN
bibechana-58405	182	3	reveals	reveal	VERB
bibechana-58405	182	4	that	that	SCONJ
bibechana-58405	182	5	tinisn	tinisn	NOUN
bibechana-58405	182	6	,	,	PUNCT
bibechana-58405	182	7	zrnisn	zrnisn	PROPN
bibechana-58405	182	8	and	and	CCONJ
bibechana-58405	182	9	hfnisn	hfnisn	PROPN
bibechana-58405	182	10	are	be	AUX
bibechana-58405	182	11	non	non	X
bibechana-58405	182	12	magnetic	magnetic	ADJ
bibechana-58405	182	13	semiconductors	semiconductor	NOUN
bibechana-58405	182	14	with	with	ADP
bibechana-58405	182	15	indirect	indirect	ADJ
bibechana-58405	182	16	bandgap	bandgap	NOUN
bibechana-58405	182	17	of	of	ADP
bibechana-58405	182	18	0.43	0.43	NUM
bibechana-58405	182	19	ev	ev	NOUN
bibechana-58405	182	20	,	,	PUNCT
bibechana-58405	182	21	0.47	0.47	NUM
bibechana-58405	182	22	ev	ev	NOUN
bibechana-58405	182	23	and	and	CCONJ
bibechana-58405	182	24	0.39	0.39	NUM
bibechana-58405	182	25	ev	ev	NOUN
bibechana-58405	182	26	,	,	PUNCT
bibechana-58405	182	27	respectively	respectively	ADV
bibechana-58405	182	28	.	.	PUNCT
bibechana-58405	183	1	the	the	DET
bibechana-58405	183	2	dos	do	NOUN
bibechana-58405	183	3	near	near	ADP
bibechana-58405	183	4	the	the	DET
bibechana-58405	183	5	fermi	fermi	NOUN
bibechana-58405	183	6	level	level	NOUN
bibechana-58405	183	7	is	be	AUX
bibechana-58405	183	8	mainly	mainly	ADV
bibechana-58405	183	9	from	from	ADP
bibechana-58405	183	10	3d	3d	NUM
bibechana-58405	183	11	-	-	PUNCT
bibechana-58405	183	12	ni	ni	NOUN
bibechana-58405	183	13	orbitals	orbital	NOUN
bibechana-58405	183	14	in	in	ADP
bibechana-58405	183	15	vb	vb	NOUN
bibechana-58405	183	16	and	and	CCONJ
bibechana-58405	183	17	ti	ti	NOUN
bibechana-58405	183	18	,	,	PUNCT
bibechana-58405	183	19	zr	zr	NOUN
bibechana-58405	183	20	,	,	PUNCT
bibechana-58405	183	21	and	and	CCONJ
bibechana-58405	183	22	hf	hf	PROPN
bibechana-58405	183	23	’s	’	VERB
bibechana-58405	183	24	3d/4d/5d	3d/4d/5d	NUM
bibechana-58405	183	25	orbitals	orbital	NOUN
bibechana-58405	183	26	,	,	PUNCT
bibechana-58405	183	27	respectively	respectively	ADV
bibechana-58405	183	28	in	in	ADP
bibechana-58405	183	29	cb	cb	PROPN
bibechana-58405	183	30	with	with	ADP
bibechana-58405	183	31	sn-5p	sn-5p	PROPN
bibechana-58405	183	32	orbitals	orbital	NOUN
bibechana-58405	183	33	having	have	VERB
bibechana-58405	183	34	minor	minor	ADJ
bibechana-58405	183	35	role	role	NOUN
bibechana-58405	183	36	in	in	ADP
bibechana-58405	183	37	both	both	DET
bibechana-58405	183	38	bands	band	NOUN
bibechana-58405	183	39	.	.	PUNCT
bibechana-58405	184	1	the	the	DET
bibechana-58405	184	2	phonon	phonon	NOUN
bibechana-58405	184	3	dispersion	dispersion	NOUN
bibechana-58405	184	4	confirms	confirm	VERB
bibechana-58405	184	5	the	the	DET
bibechana-58405	184	6	dynamic	dynamic	ADJ
bibechana-58405	184	7	stability	stability	NOUN
bibechana-58405	184	8	of	of	ADP
bibechana-58405	184	9	the	the	DET
bibechana-58405	184	10	systems	system	NOUN
bibechana-58405	184	11	.	.	PUNCT
bibechana-58405	185	1	the	the	DET
bibechana-58405	185	2	overlapping	overlap	VERB
bibechana-58405	185	3	optical	optical	ADJ
bibechana-58405	185	4	and	and	CCONJ
bibechana-58405	185	5	acoustical	acoustical	ADJ
bibechana-58405	185	6	phonon	phonon	NOUN
bibechana-58405	185	7	modes	mode	NOUN
bibechana-58405	185	8	increase	increase	VERB
bibechana-58405	185	9	from	from	ADP
bibechana-58405	185	10	tinisn	tinisn	NOUN
bibechana-58405	185	11	to	to	PART
bibechana-58405	185	12	hfnisn	hfnisn	VERB
bibechana-58405	185	13	.	.	PUNCT
bibechana-58405	186	1	the	the	DET
bibechana-58405	186	2	κl	κl	ADJ
bibechana-58405	186	3	variation	variation	NOUN
bibechana-58405	186	4	with	with	ADP
bibechana-58405	186	5	temperature	temperature	NOUN
bibechana-58405	186	6	was	be	AUX
bibechana-58405	186	7	assessed	assess	VERB
bibechana-58405	186	8	using	use	VERB
bibechana-58405	186	9	slack	slack	NOUN
bibechana-58405	186	10	’s	’s	PART
bibechana-58405	186	11	model	model	NOUN
bibechana-58405	186	12	,	,	PUNCT
bibechana-58405	186	13	with	with	ADP
bibechana-58405	186	14	phonon	phonon	NOUN
bibechana-58405	186	15	velocity	velocity	NOUN
bibechana-58405	186	16	analyzed	analyze	VERB
bibechana-58405	186	17	with	with	ADP
bibechana-58405	186	18	qha	qha	NOUN
bibechana-58405	186	19	model	model	NOUN
bibechana-58405	186	20	and	and	CCONJ
bibechana-58405	186	21	the	the	DET
bibechana-58405	186	22	slope	slope	NOUN
bibechana-58405	186	23	of	of	ADP
bibechana-58405	186	24	phonon	phonon	NOUN
bibechana-58405	186	25	bands	band	NOUN
bibechana-58405	186	26	by	by	ADP
bibechana-58405	186	27	dfpt	dfpt	NOUN
bibechana-58405	186	28	.	.	PUNCT
bibechana-58405	187	1	the	the	DET
bibechana-58405	187	2	κl	κl	NOUN
bibechana-58405	187	3	has	have	AUX
bibechana-58405	187	4	observed	observe	VERB
bibechana-58405	187	5	to	to	PART
bibechana-58405	187	6	decrease	decrease	VERB
bibechana-58405	187	7	as	as	ADP
bibechana-58405	187	8	the	the	DET
bibechana-58405	187	9	temperature	temperature	NOUN
bibechana-58405	187	10	increases	increase	NOUN
bibechana-58405	187	11	because	because	SCONJ
bibechana-58405	187	12	of	of	ADP
bibechana-58405	187	13	phonon	phonon	NOUN
bibechana-58405	187	14	scattering	scattering	NOUN
bibechana-58405	187	15	.	.	PUNCT
bibechana-58405	188	1	the	the	DET
bibechana-58405	188	2	room	room	NOUN
bibechana-58405	188	3	temperature	temperature	NOUN
bibechana-58405	188	4	κl	κl	ADJ
bibechana-58405	188	5	values	value	NOUN
bibechana-58405	188	6	of	of	ADP
bibechana-58405	188	7	28.61	28.61	NUM
bibechana-58405	188	8	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	188	9	,	,	PUNCT
bibechana-58405	188	10	34.61	34.61	NUM
bibechana-58405	188	11	wm−1k−1	wm−1k−1	ADP
bibechana-58405	188	12	and	and	CCONJ
bibechana-58405	188	13	29.85	29.85	NUM
bibechana-58405	188	14	wm−1k−1	wm−1k−1	ADP
bibechana-58405	188	15	for	for	ADP
bibechana-58405	188	16	tinisn	tinisn	NOUN
bibechana-58405	188	17	,	,	PUNCT
bibechana-58405	188	18	zrnisn	zrnisn	NUM
bibechana-58405	188	19	and	and	CCONJ
bibechana-58405	188	20	hfnisn	hfnisn	VERB
bibechana-58405	188	21	respectively	respectively	ADV
bibechana-58405	188	22	using	use	VERB
bibechana-58405	188	23	dfpt	dfpt	NOUN
bibechana-58405	188	24	follow	follow	VERB
bibechana-58405	188	25	same	same	ADJ
bibechana-58405	188	26	trend	trend	NOUN
bibechana-58405	188	27	to	to	ADP
bibechana-58405	188	28	those	those	DET
bibechana-58405	188	29	values	value	NOUN
bibechana-58405	188	30	29.01	29.01	NUM
bibechana-58405	188	31	wm−1k−1	wm−1k−1	ADJ
bibechana-58405	188	32	,	,	PUNCT
bibechana-58405	188	33	36.79	36.79	NUM
bibechana-58405	188	34	wm−1k−1	wm−1k−1	ADP
bibechana-58405	188	35	and	and	CCONJ
bibechana-58405	188	36	31.59	31.59	NUM
bibechana-58405	188	37	wm−1k−1	wm−1k−1	ADP
bibechana-58405	188	38	respectively	respectively	ADV
bibechana-58405	188	39	by	by	ADP
bibechana-58405	188	40	qha	qha	PROPN
bibechana-58405	188	41	model	model	NOUN
bibechana-58405	188	42	.	.	PUNCT
bibechana-58405	189	1	the	the	DET
bibechana-58405	189	2	findings	finding	NOUN
bibechana-58405	189	3	obtained	obtain	VERB
bibechana-58405	189	4	through	through	ADP
bibechana-58405	189	5	both	both	DET
bibechana-58405	189	6	approaches	approach	NOUN
bibechana-58405	189	7	exhibit	exhibit	VERB
bibechana-58405	189	8	an	an	DET
bibechana-58405	189	9	agreement	agreement	NOUN
bibechana-58405	189	10	of	of	ADP
bibechana-58405	189	11	1.48	1.48	NUM
bibechana-58405	189	12	%	%	NOUN
bibechana-58405	189	13	,	,	PUNCT
bibechana-58405	189	14	6.29	6.29	NUM
bibechana-58405	189	15	%	%	NOUN
bibechana-58405	189	16	,	,	PUNCT
bibechana-58405	189	17	and	and	CCONJ
bibechana-58405	189	18	5.82	5.82	NUM
bibechana-58405	189	19	%	%	NOUN
bibechana-58405	189	20	for	for	ADP
bibechana-58405	189	21	tinisn	tinisn	NOUN
bibechana-58405	189	22	,	,	PUNCT
bibechana-58405	189	23	zrnisn	zrnisn	PROPN
bibechana-58405	189	24	and	and	CCONJ
bibechana-58405	189	25	hfnisn	hfnisn	VERB
bibechana-58405	189	26	,	,	PUNCT
bibechana-58405	189	27	respectively	respectively	ADV
bibechana-58405	189	28	.	.	PUNCT
bibechana-58405	190	1	the	the	DET
bibechana-58405	190	2	values	value	NOUN
bibechana-58405	190	3	in	in	ADP
bibechana-58405	190	4	present	present	ADJ
bibechana-58405	190	5	study	study	NOUN
bibechana-58405	190	6	are	be	AUX
bibechana-58405	190	7	overestimated	overestimate	VERB
bibechana-58405	190	8	in	in	ADP
bibechana-58405	190	9	comparison	comparison	NOUN
bibechana-58405	190	10	to	to	ADP
bibechana-58405	190	11	prior	prior	ADJ
bibechana-58405	190	12	methods	method	NOUN
bibechana-58405	190	13	.	.	PUNCT
bibechana-58405	191	1	the	the	DET
bibechana-58405	191	2	scattering	scatter	VERB
bibechana-58405	191	3	effects	effect	NOUN
bibechana-58405	191	4	are	be	AUX
bibechana-58405	191	5	to	to	PART
bibechana-58405	191	6	be	be	AUX
bibechana-58405	191	7	included	include	VERB
bibechana-58405	191	8	for	for	ADP
bibechana-58405	191	9	matching	match	VERB
bibechana-58405	191	10	the	the	DET
bibechana-58405	191	11	computational	computational	ADJ
bibechana-58405	191	12	and	and	CCONJ
bibechana-58405	191	13	exprakash	exprakash	ADJ
bibechana-58405	191	14	khatri	khatri	PROPN
bibechana-58405	191	15	and	and	CCONJ
bibechana-58405	191	16	n.	n.	PROPN
bibechana-58405	191	17	p.	p.	NOUN
bibechana-58405	191	18	adhikari/	adhikari/	NUM
bibechana-58405	191	19	bibechana	bibechana	NOUN
bibechana-58405	191	20	21	21	NUM
bibechana-58405	191	21	(	(	PUNCT
bibechana-58405	191	22	2024	2024	NUM
bibechana-58405	191	23	)	)	PUNCT
bibechana-58405	191	24	12	12	NUM
bibechana-58405	191	25	-	-	SYM
bibechana-58405	191	26	22	22	NUM
bibechana-58405	191	27	20	20	NUM
bibechana-58405	191	28	perimental	perimental	NOUN
bibechana-58405	191	29	values	value	NOUN
bibechana-58405	191	30	for	for	ADP
bibechana-58405	191	31	κl	κl	NOUN
bibechana-58405	191	32	.	.	PUNCT
bibechana-58405	192	1	although	although	SCONJ
bibechana-58405	192	2	the	the	DET
bibechana-58405	192	3	compounds	compound	NOUN
bibechana-58405	192	4	have	have	VERB
bibechana-58405	192	5	high	high	ADJ
bibechana-58405	192	6	κl	κl	ADV
bibechana-58405	192	7	at	at	ADP
bibechana-58405	192	8	low	low	ADJ
bibechana-58405	192	9	temperatures	temperature	NOUN
bibechana-58405	192	10	,	,	PUNCT
bibechana-58405	192	11	the	the	DET
bibechana-58405	192	12	decreasing	decrease	VERB
bibechana-58405	192	13	values	value	NOUN
bibechana-58405	192	14	of	of	ADP
bibechana-58405	192	15	them	they	PRON
bibechana-58405	192	16	at	at	ADP
bibechana-58405	192	17	elevated	elevated	ADJ
bibechana-58405	192	18	temperatures	temperature	NOUN
bibechana-58405	192	19	make	make	VERB
bibechana-58405	192	20	them	they	PRON
bibechana-58405	192	21	promising	promise	VERB
bibechana-58405	192	22	for	for	ADP
bibechana-58405	192	23	high	high	ADJ
bibechana-58405	192	24	-	-	PUNCT
bibechana-58405	192	25	temperature	temperature	NOUN
bibechana-58405	192	26	te	te	PROPN
bibechana-58405	192	27	applications	application	NOUN
bibechana-58405	192	28	.	.	PUNCT
bibechana-58405	193	1	acknowledgements	acknowledgement	NOUN
bibechana-58405	193	2	pk	pk	NOUN
bibechana-58405	193	3	acknowledges	acknowledge	VERB
bibechana-58405	193	4	the	the	DET
bibechana-58405	193	5	phd	phd	NOUN
bibechana-58405	193	6	grants	grant	NOUN
bibechana-58405	193	7	award	award	VERB
bibechana-58405	193	8	no	no	INTJ
bibechana-58405	193	9	.	.	PUNCT
bibechana-58405	194	1	phd-79/80	phd-79/80	PROPN
bibechana-58405	194	2	-	-	PUNCT
bibechana-58405	194	3	s&t-14	s&t-14	PROPN
bibechana-58405	194	4	of	of	ADP
bibechana-58405	194	5	ugc	ugc	PROPN
bibechana-58405	194	6	nepal	nepal	PROPN
bibechana-58405	194	7	and	and	CCONJ
bibechana-58405	194	8	nt-14	nt-14	ADJ
bibechana-58405	194	9	of	of	ADP
bibechana-58405	194	10	ictp	ictp	PROPN
bibechana-58405	194	11	/	/	SYM
bibechana-58405	194	12	eau	eau	PROPN
bibechana-58405	194	13	for	for	ADP
bibechana-58405	194	14	partial	partial	ADJ
bibechana-58405	194	15	support	support	NOUN
bibechana-58405	194	16	.	.	PUNCT
bibechana-58405	195	1	npa	npa	PROPN
bibechana-58405	195	2	acknowledges	acknowledge	VERB
bibechana-58405	195	3	tu	tu	PROPN
bibechana-58405	195	4	-	-	PUNCT
bibechana-58405	195	5	npar-077/78	npar-077/78	ADJ
bibechana-58405	195	6	erg14	erg14	NOUN
bibechana-58405	195	7	.	.	PUNCT
bibechana-58405	196	1	references	reference	NOUN
bibechana-58405	196	2	[	[	X
bibechana-58405	196	3	1	1	NUM
bibechana-58405	196	4	]	]	PUNCT
bibechana-58405	196	5	g.	g.	PROPN
bibechana-58405	196	6	j.	j.	PROPN
bibechana-58405	196	7	snyder	snyder	PROPN
bibechana-58405	196	8	and	and	CCONJ
bibechana-58405	196	9	e.	e.	PROPN
bibechana-58405	196	10	s.	s.	PROPN
bibechana-58405	196	11	toberer	toberer	PROPN
bibechana-58405	196	12	.	.	PUNCT
bibechana-58405	197	1	complex	complex	ADJ
bibechana-58405	197	2	thermoelectric	thermoelectric	ADJ
bibechana-58405	197	3	materials	material	NOUN
bibechana-58405	197	4	.	.	PUNCT
bibechana-58405	198	1	nature	nature	NOUN
bibechana-58405	198	2	materials	material	NOUN
bibechana-58405	198	3	,	,	PUNCT
bibechana-58405	198	4	7(2):105–114	7(2):105–114	NOUN
bibechana-58405	198	5	,	,	PUNCT
bibechana-58405	198	6	2008	2008	NUM
bibechana-58405	198	7	.	.	PUNCT
bibechana-58405	199	1	[	[	X
bibechana-58405	199	2	2	2	X
bibechana-58405	199	3	]	]	PUNCT
bibechana-58405	199	4	h.	h.	PROPN
bibechana-58405	199	5	j.	j.	PROPN
bibechana-58405	199	6	goldsmid	goldsmid	PROPN
bibechana-58405	199	7	.	.	PUNCT
bibechana-58405	199	8	introduction	introduction	NOUN
bibechana-58405	199	9	to	to	ADP
bibechana-58405	199	10	thermoelectricity	thermoelectricity	NOUN
bibechana-58405	199	11	,	,	PUNCT
bibechana-58405	199	12	volume	volume	NOUN
bibechana-58405	199	13	121	121	NUM
bibechana-58405	199	14	.	.	PUNCT
bibechana-58405	199	15	springer	springer	NOUN
bibechana-58405	199	16	,	,	PUNCT
bibechana-58405	199	17	2016	2016	NUM
bibechana-58405	199	18	.	.	PUNCT
bibechana-58405	200	1	[	[	X
bibechana-58405	200	2	3	3	X
bibechana-58405	200	3	]	]	X
bibechana-58405	200	4	r.	r.	PROPN
bibechana-58405	200	5	j.	j.	PROPN
bibechana-58405	200	6	quinn	quinn	PROPN
bibechana-58405	200	7	and	and	CCONJ
bibechana-58405	200	8	j.	j.	PROPN
bibechana-58405	200	9	w.	w.	PROPN
bibechana-58405	200	10	g.	g.	PROPN
bibechana-58405	200	11	bos	bos	PROPN
bibechana-58405	200	12	.	.	PROPN
bibechana-58405	201	1	advances	advance	NOUN
bibechana-58405	201	2	in	in	ADP
bibechana-58405	201	3	half	half	ADJ
bibechana-58405	201	4	-	-	PUNCT
bibechana-58405	201	5	heusler	heusler	NOUN
bibechana-58405	201	6	alloys	alloy	NOUN
bibechana-58405	201	7	for	for	ADP
bibechana-58405	201	8	thermoelectric	thermoelectric	ADJ
bibechana-58405	201	9	power	power	NOUN
bibechana-58405	201	10	generation	generation	NOUN
bibechana-58405	201	11	.	.	PUNCT
bibechana-58405	202	1	materials	material	NOUN
bibechana-58405	202	2	advances	advance	NOUN
bibechana-58405	202	3	,	,	PUNCT
bibechana-58405	202	4	2(19):6246	2(19):6246	NUM
bibechana-58405	202	5	–	–	PUNCT
bibechana-58405	202	6	6266	6266	NUM
bibechana-58405	202	7	,	,	PUNCT
bibechana-58405	202	8	2021	2021	NUM
bibechana-58405	202	9	.	.	PUNCT
bibechana-58405	203	1	[	[	X
bibechana-58405	203	2	4	4	X
bibechana-58405	203	3	]	]	X
bibechana-58405	203	4	g.	g.	PROPN
bibechana-58405	203	5	d.	d.	PROPN
bibechana-58405	203	6	mahan	mahan	PROPN
bibechana-58405	203	7	and	and	CCONJ
bibechana-58405	203	8	j.	j.	PROPN
bibechana-58405	203	9	o.	o.	PROPN
bibechana-58405	203	10	sofo	sofo	PROPN
bibechana-58405	203	11	.	.	PUNCT
bibechana-58405	204	1	the	the	DET
bibechana-58405	204	2	best	good	ADJ
bibechana-58405	204	3	thermoelectric	thermoelectric	NOUN
bibechana-58405	204	4	.	.	PUNCT
bibechana-58405	205	1	proceedings	proceeding	NOUN
bibechana-58405	205	2	of	of	ADP
bibechana-58405	205	3	the	the	DET
bibechana-58405	205	4	national	national	PROPN
bibechana-58405	205	5	academy	academy	PROPN
bibechana-58405	205	6	of	of	ADP
bibechana-58405	205	7	sciences	sciences	PROPN
bibechana-58405	205	8	,	,	PUNCT
bibechana-58405	205	9	93(15):7436–7439	93(15):7436–7439	NOUN
bibechana-58405	205	10	,	,	PUNCT
bibechana-58405	205	11	1996	1996	NUM
bibechana-58405	205	12	.	.	PUNCT
bibechana-58405	206	1	[	[	X
bibechana-58405	206	2	5	5	NUM
bibechana-58405	206	3	]	]	PUNCT
bibechana-58405	206	4	x.	x.	NOUN
bibechana-58405	206	5	zhang	zhang	PROPN
bibechana-58405	206	6	and	and	CCONJ
bibechana-58405	206	7	l.	l.	PROPN
bibechana-58405	206	8	d.	d.	PROPN
bibechana-58405	206	9	zhao	zhao	PROPN
bibechana-58405	206	10	.	.	PUNCT
bibechana-58405	207	1	thermoelectric	thermoelectric	ADJ
bibechana-58405	207	2	materials	material	NOUN
bibechana-58405	207	3	:	:	PUNCT
bibechana-58405	207	4	energy	energy	NOUN
bibechana-58405	207	5	conversion	conversion	NOUN
bibechana-58405	207	6	between	between	ADP
bibechana-58405	207	7	heat	heat	NOUN
bibechana-58405	207	8	and	and	CCONJ
bibechana-58405	207	9	electricity	electricity	NOUN
bibechana-58405	207	10	.	.	PUNCT
bibechana-58405	208	1	journal	journal	NOUN
bibechana-58405	208	2	of	of	ADP
bibechana-58405	208	3	materiomics	materiomic	NOUN
bibechana-58405	208	4	,	,	PUNCT
bibechana-58405	208	5	1(2):92	1(2):92	NUM
bibechana-58405	208	6	–	–	PUNCT
bibechana-58405	208	7	105	105	NUM
bibechana-58405	208	8	,	,	PUNCT
bibechana-58405	208	9	2015	2015	NUM
bibechana-58405	208	10	.	.	PUNCT
bibechana-58405	209	1	[	[	X
bibechana-58405	209	2	6	6	NUM
bibechana-58405	209	3	]	]	X
bibechana-58405	209	4	y.	y.	PROPN
bibechana-58405	209	5	pei	pei	PROPN
bibechana-58405	209	6	,	,	PUNCT
bibechana-58405	209	7	x.	x.	PROPN
bibechana-58405	209	8	shi	shi	PROPN
bibechana-58405	209	9	,	,	PUNCT
bibechana-58405	209	10	a.	a.	NOUN
bibechana-58405	209	11	lalonde	lalonde	PROPN
bibechana-58405	209	12	,	,	PUNCT
bibechana-58405	209	13	h.	h.	PROPN
bibechana-58405	209	14	wang	wang	PROPN
bibechana-58405	209	15	,	,	PUNCT
bibechana-58405	209	16	l.	l.	PROPN
bibechana-58405	209	17	chen	chen	PROPN
bibechana-58405	209	18	,	,	PUNCT
bibechana-58405	209	19	and	and	CCONJ
bibechana-58405	209	20	g.	g.	PROPN
bibechana-58405	209	21	j.	j.	PROPN
bibechana-58405	209	22	snyder	snyder	PROPN
bibechana-58405	209	23	.	.	PUNCT
bibechana-58405	210	1	convergence	convergence	NOUN
bibechana-58405	210	2	of	of	ADP
bibechana-58405	210	3	electronic	electronic	ADJ
bibechana-58405	210	4	bands	band	NOUN
bibechana-58405	210	5	for	for	ADP
bibechana-58405	210	6	high	high	ADJ
bibechana-58405	210	7	performance	performance	NOUN
bibechana-58405	210	8	bulk	bulk	NOUN
bibechana-58405	210	9	thermoelectrics	thermoelectric	NOUN
bibechana-58405	210	10	.	.	PUNCT
bibechana-58405	211	1	nature	nature	NOUN
bibechana-58405	211	2	,	,	PUNCT
bibechana-58405	211	3	473(7345):66–69	473(7345):66–69	X
bibechana-58405	211	4	,	,	PUNCT
bibechana-58405	211	5	2011	2011	NUM
bibechana-58405	211	6	.	.	PUNCT
bibechana-58405	212	1	[	[	X
bibechana-58405	212	2	7	7	X
bibechana-58405	212	3	]	]	PUNCT
bibechana-58405	212	4	z.	z.	PROPN
bibechana-58405	212	5	feng	feng	PROPN
bibechana-58405	212	6	,	,	PUNCT
bibechana-58405	212	7	y.	y.	PROPN
bibechana-58405	212	8	fu	fu	PROPN
bibechana-58405	212	9	,	,	PUNCT
bibechana-58405	212	10	y.	y.	PROPN
bibechana-58405	212	11	zhang	zhang	PROPN
bibechana-58405	212	12	,	,	PUNCT
bibechana-58405	212	13	and	and	CCONJ
bibechana-58405	212	14	d.	d.	PROPN
bibechana-58405	212	15	j.	j.	PROPN
bibechana-58405	212	16	singh	singh	PROPN
bibechana-58405	212	17	.	.	PUNCT
bibechana-58405	213	1	characterization	characterization	NOUN
bibechana-58405	213	2	of	of	ADP
bibechana-58405	213	3	rattling	rattle	VERB
bibechana-58405	213	4	in	in	ADP
bibechana-58405	213	5	relation	relation	NOUN
bibechana-58405	213	6	to	to	ADP
bibechana-58405	213	7	thermal	thermal	ADJ
bibechana-58405	213	8	conductivity	conductivity	NOUN
bibechana-58405	213	9	:	:	PUNCT
bibechana-58405	213	10	ordered	order	VERB
bibechana-58405	213	11	half	half	ADJ
bibechana-58405	213	12	-	-	PUNCT
bibechana-58405	213	13	heusler	heusler	NOUN
bibechana-58405	213	14	semiconductors	semiconductor	NOUN
bibechana-58405	213	15	.	.	PUNCT
bibechana-58405	214	1	physical	physical	ADJ
bibechana-58405	214	2	review	review	PROPN
bibechana-58405	214	3	b	b	PROPN
bibechana-58405	214	4	,	,	PUNCT
bibechana-58405	214	5	101(6):064301	101(6):064301	NUM
bibechana-58405	214	6	,	,	PUNCT
bibechana-58405	214	7	2020	2020	NUM
bibechana-58405	214	8	.	.	PUNCT
bibechana-58405	215	1	[	[	X
bibechana-58405	215	2	8	8	NUM
bibechana-58405	215	3	]	]	X
bibechana-58405	215	4	g.	g.	PROPN
bibechana-58405	215	5	ding	ding	PROPN
bibechana-58405	215	6	,	,	PUNCT
bibechana-58405	215	7	g.	g.	PROPN
bibechana-58405	215	8	y.	y.	PROPN
bibechana-58405	215	9	gao	gao	PROPN
bibechana-58405	215	10	,	,	PUNCT
bibechana-58405	215	11	and	and	CCONJ
bibechana-58405	215	12	k.	k.	PROPN
bibechana-58405	215	13	l.	l.	PROPN
bibechana-58405	215	14	yao	yao	PROPN
bibechana-58405	215	15	.	.	PUNCT
bibechana-58405	216	1	examining	examine	VERB
bibechana-58405	216	2	the	the	DET
bibechana-58405	216	3	thermal	thermal	ADJ
bibechana-58405	216	4	conductivity	conductivity	NOUN
bibechana-58405	216	5	of	of	ADP
bibechana-58405	216	6	the	the	DET
bibechana-58405	216	7	halfheusler	halfheusler	NOUN
bibechana-58405	216	8	alloy	alloy	NOUN
bibechana-58405	216	9	tinisn	tinisn	NOUN
bibechana-58405	216	10	by	by	ADP
bibechana-58405	216	11	first	first	ADJ
bibechana-58405	216	12	-	-	PUNCT
bibechana-58405	216	13	principles	principle	NOUN
bibechana-58405	216	14	calculations	calculation	NOUN
bibechana-58405	216	15	.	.	PUNCT
bibechana-58405	217	1	journal	journal	PROPN
bibechana-58405	217	2	of	of	ADP
bibechana-58405	217	3	physics	physics	PROPN
bibechana-58405	218	1	d	d	PROPN
bibechana-58405	218	2	:	:	PUNCT
bibechana-58405	218	3	applied	applied	ADJ
bibechana-58405	218	4	physics	physic	NOUN
bibechana-58405	218	5	,	,	PUNCT
bibechana-58405	218	6	48(23):235302	48(23):235302	NUM
bibechana-58405	218	7	,	,	PUNCT
bibechana-58405	218	8	2015	2015	NUM
bibechana-58405	218	9	.	.	PUNCT
bibechana-58405	219	1	[	[	X
bibechana-58405	219	2	9	9	X
bibechana-58405	219	3	]	]	X
bibechana-58405	219	4	y.	y.	PROPN
bibechana-58405	219	5	zhang	zhang	PROPN
bibechana-58405	219	6	.	.	PUNCT
bibechana-58405	220	1	first	first	ADJ
bibechana-58405	220	2	-	-	PUNCT
bibechana-58405	220	3	principles	principle	NOUN
bibechana-58405	220	4	debye	debye	ADJ
bibechana-58405	220	5	–	–	PUNCT
bibechana-58405	220	6	callaway	callaway	PROPN
bibechana-58405	220	7	approach	approach	NOUN
bibechana-58405	220	8	to	to	PART
bibechana-58405	220	9	lattice	lattice	VERB
bibechana-58405	220	10	thermal	thermal	ADJ
bibechana-58405	220	11	conductivity	conductivity	NOUN
bibechana-58405	220	12	.	.	PUNCT
bibechana-58405	221	1	journal	journal	NOUN
bibechana-58405	221	2	of	of	ADP
bibechana-58405	221	3	materiomics	materiomic	NOUN
bibechana-58405	221	4	,	,	PUNCT
bibechana-58405	221	5	2(3):237–247	2(3):237–247	PROPN
bibechana-58405	221	6	,	,	PUNCT
bibechana-58405	221	7	2016	2016	NUM
bibechana-58405	221	8	.	.	PUNCT
bibechana-58405	222	1	[	[	X
bibechana-58405	222	2	10	10	NUM
bibechana-58405	222	3	]	]	PUNCT
bibechana-58405	222	4	j.	j.	PROPN
bibechana-58405	222	5	s.	s.	PROPN
bibechana-58405	222	6	dugdale	dugdale	PROPN
bibechana-58405	222	7	and	and	CCONJ
bibechana-58405	222	8	d.	d.	PROPN
bibechana-58405	222	9	k.	k.	PROPN
bibechana-58405	223	1	c.	c.	PROPN
bibechana-58405	223	2	macdonald	macdonald	PROPN
bibechana-58405	223	3	.	.	PUNCT
bibechana-58405	224	1	lattice	lattice	PROPN
bibechana-58405	224	2	thermal	thermal	ADJ
bibechana-58405	224	3	conductivity	conductivity	NOUN
bibechana-58405	224	4	.	.	PUNCT
bibechana-58405	225	1	physical	physical	ADJ
bibechana-58405	225	2	review	review	PROPN
bibechana-58405	225	3	,	,	PUNCT
bibechana-58405	225	4	98(6):1751	98(6):1751	NUM
bibechana-58405	225	5	,	,	PUNCT
bibechana-58405	225	6	1955	1955	NUM
bibechana-58405	225	7	.	.	PUNCT
bibechana-58405	226	1	[	[	X
bibechana-58405	226	2	11	11	NUM
bibechana-58405	226	3	]	]	X
bibechana-58405	226	4	h.	h.	PROPN
bibechana-58405	226	5	kim	kim	PROPN
bibechana-58405	226	6	,	,	PUNCT
bibechana-58405	226	7	g.	g.	PROPN
bibechana-58405	226	8	park	park	PROPN
bibechana-58405	226	9	,	,	PUNCT
bibechana-58405	226	10	s.	s.	PROPN
bibechana-58405	226	11	park	park	PROPN
bibechana-58405	226	12	,	,	PUNCT
bibechana-58405	226	13	and	and	CCONJ
bibechana-58405	226	14	w.	w.	PROPN
bibechana-58405	226	15	kim	kim	PROPN
bibechana-58405	226	16	.	.	PUNCT
bibechana-58405	227	1	strategies	strategy	NOUN
bibechana-58405	227	2	for	for	ADP
bibechana-58405	227	3	manipulating	manipulate	VERB
bibechana-58405	227	4	phonon	phonon	NOUN
bibechana-58405	227	5	transport	transport	NOUN
bibechana-58405	227	6	in	in	ADP
bibechana-58405	227	7	solids	solid	NOUN
bibechana-58405	227	8	.	.	PUNCT
bibechana-58405	228	1	acs	acs	PROPN
bibechana-58405	228	2	nano	nano	PROPN
bibechana-58405	228	3	,	,	PUNCT
bibechana-58405	228	4	15(2):2182–2196	15(2):2182–2196	NUM
bibechana-58405	228	5	,	,	PUNCT
bibechana-58405	228	6	2021	2021	NUM
bibechana-58405	228	7	.	.	PUNCT
bibechana-58405	229	1	[	[	X
bibechana-58405	229	2	12	12	NUM
bibechana-58405	229	3	]	]	PUNCT
bibechana-58405	229	4	p.	p.	NOUN
bibechana-58405	229	5	bagheri	bagheri	PROPN
bibechana-58405	229	6	,	,	PUNCT
bibechana-58405	229	7	p.	p.	PROPN
bibechana-58405	229	8	reddy	reddy	PROPN
bibechana-58405	229	9	,	,	PUNCT
bibechana-58405	229	10	j.	j.	PROPN
bibechana-58405	229	11	h.	h.	PROPN
bibechana-58405	229	12	kim	kim	PROPN
bibechana-58405	229	13	,	,	PUNCT
bibechana-58405	229	14	r.	r.	PROPN
bibechana-58405	229	15	rounds	rounds	PROPN
bibechana-58405	229	16	,	,	PUNCT
bibechana-58405	229	17	t.	t.	PROPN
bibechana-58405	229	18	sochacki	sochacki	PROPN
bibechana-58405	229	19	,	,	PUNCT
bibechana-58405	229	20	r.	r.	PROPN
bibechana-58405	229	21	kirste	kirste	PROPN
bibechana-58405	229	22	,	,	PUNCT
bibechana-58405	229	23	and	and	CCONJ
bibechana-58405	229	24	z.	z.	PROPN
bibechana-58405	229	25	sitar	sitar	NOUN
bibechana-58405	229	26	.	.	PUNCT
bibechana-58405	230	1	impact	impact	NOUN
bibechana-58405	230	2	of	of	ADP
bibechana-58405	230	3	impurity	impurity	NOUN
bibechana-58405	230	4	-	-	PUNCT
bibechana-58405	230	5	based	base	VERB
bibechana-58405	230	6	phonon	phonon	NOUN
bibechana-58405	230	7	resonant	resonant	NOUN
bibechana-58405	230	8	scattering	scattering	NOUN
bibechana-58405	230	9	on	on	ADP
bibechana-58405	230	10	thermal	thermal	ADJ
bibechana-58405	230	11	conductivity	conductivity	NOUN
bibechana-58405	230	12	of	of	ADP
bibechana-58405	230	13	single	single	ADJ
bibechana-58405	230	14	crystalline	crystalline	NOUN
bibechana-58405	230	15	gan	gan	PROPN
bibechana-58405	230	16	.	.	PUNCT
bibechana-58405	230	17	applied	apply	VERB
bibechana-58405	230	18	physics	physics	NOUN
bibechana-58405	230	19	letters	letter	NOUN
bibechana-58405	230	20	,	,	PUNCT
bibechana-58405	230	21	117(8	117(8	NUM
bibechana-58405	230	22	)	)	PUNCT
bibechana-58405	230	23	,	,	PUNCT
bibechana-58405	230	24	2020	2020	NUM
bibechana-58405	230	25	.	.	PUNCT
bibechana-58405	231	1	[	[	X
bibechana-58405	231	2	13	13	NUM
bibechana-58405	231	3	]	]	PUNCT
bibechana-58405	231	4	w.	w.	PROPN
bibechana-58405	231	5	kim	kim	PROPN
bibechana-58405	231	6	.	.	PUNCT
bibechana-58405	232	1	strategies	strategy	NOUN
bibechana-58405	232	2	for	for	ADP
bibechana-58405	232	3	engineering	engineering	NOUN
bibechana-58405	232	4	phonon	phonon	NOUN
bibechana-58405	232	5	transport	transport	NOUN
bibechana-58405	232	6	in	in	ADP
bibechana-58405	232	7	thermoelectrics	thermoelectric	NOUN
bibechana-58405	232	8	.	.	PUNCT
bibechana-58405	233	1	journal	journal	PROPN
bibechana-58405	233	2	of	of	ADP
bibechana-58405	233	3	materials	material	NOUN
bibechana-58405	233	4	chemistry	chemistry	NOUN
bibechana-58405	233	5	c	c	NOUN
bibechana-58405	233	6	,	,	PUNCT
bibechana-58405	233	7	3(40):10336–10348	3(40):10336–10348	NUM
bibechana-58405	233	8	,	,	PUNCT
bibechana-58405	233	9	2015	2015	NUM
bibechana-58405	233	10	.	.	PUNCT
bibechana-58405	234	1	[	[	X
bibechana-58405	234	2	14	14	NUM
bibechana-58405	234	3	]	]	X
bibechana-58405	234	4	h.	h.	PROPN
bibechana-58405	234	5	xie	xie	PROPN
bibechana-58405	234	6	,	,	PUNCT
bibechana-58405	234	7	h.	h.	PROPN
bibechana-58405	234	8	wang	wang	PROPN
bibechana-58405	234	9	,	,	PUNCT
bibechana-58405	234	10	y.	y.	PROPN
bibechana-58405	234	11	pei	pei	PROPN
bibechana-58405	234	12	,	,	PUNCT
bibechana-58405	234	13	c.	c.	PROPN
bibechana-58405	234	14	fu	fu	PROPN
bibechana-58405	234	15	,	,	PUNCT
bibechana-58405	234	16	x.	x.	PROPN
bibechana-58405	234	17	liu	liu	PROPN
bibechana-58405	234	18	,	,	PUNCT
bibechana-58405	234	19	g.	g.	PROPN
bibechana-58405	234	20	j.	j.	PROPN
bibechana-58405	234	21	snyder	snyder	PROPN
bibechana-58405	234	22	,	,	PUNCT
bibechana-58405	234	23	and	and	CCONJ
bibechana-58405	234	24	t.	t.	PROPN
bibechana-58405	234	25	zhu	zhu	PROPN
bibechana-58405	234	26	.	.	PUNCT
bibechana-58405	235	1	beneficial	beneficial	ADJ
bibechana-58405	235	2	contribution	contribution	NOUN
bibechana-58405	235	3	of	of	ADP
bibechana-58405	235	4	alloy	alloy	NOUN
bibechana-58405	235	5	disorder	disorder	NOUN
bibechana-58405	235	6	to	to	PART
bibechana-58405	235	7	electron	electron	VERB
bibechana-58405	235	8	and	and	CCONJ
bibechana-58405	235	9	phonon	phonon	NOUN
bibechana-58405	235	10	transport	transport	NOUN
bibechana-58405	235	11	in	in	ADP
bibechana-58405	235	12	half	half	ADJ
bibechana-58405	235	13	-	-	PUNCT
bibechana-58405	235	14	heusler	heusler	NOUN
bibechana-58405	235	15	thermoelectric	thermoelectric	ADJ
bibechana-58405	235	16	materials	material	NOUN
bibechana-58405	235	17	.	.	PUNCT
bibechana-58405	236	1	advanced	advanced	ADJ
bibechana-58405	236	2	functional	functional	ADJ
bibechana-58405	236	3	materials	material	NOUN
bibechana-58405	236	4	,	,	PUNCT
bibechana-58405	236	5	23(41):5123	23(41):5123	NUM
bibechana-58405	236	6	–	–	PUNCT
bibechana-58405	236	7	5130	5130	NUM
bibechana-58405	236	8	,	,	PUNCT
bibechana-58405	236	9	2013	2013	NUM
bibechana-58405	236	10	.	.	PUNCT
bibechana-58405	237	1	[	[	X
bibechana-58405	237	2	15	15	NUM
bibechana-58405	237	3	]	]	X
bibechana-58405	237	4	s.	s.	PROPN
bibechana-58405	237	5	h.	h.	PROPN
bibechana-58405	237	6	zaferani	zaferani	PROPN
bibechana-58405	237	7	,	,	PUNCT
bibechana-58405	237	8	r.	r.	PROPN
bibechana-58405	237	9	ghomashchi	ghomashchi	PROPN
bibechana-58405	237	10	,	,	PUNCT
bibechana-58405	237	11	and	and	CCONJ
bibechana-58405	237	12	d.	d.	PROPN
bibechana-58405	237	13	vashaee	vashaee	PROPN
bibechana-58405	237	14	.	.	PUNCT
bibechana-58405	238	1	strategies	strategy	NOUN
bibechana-58405	238	2	for	for	ADP
bibechana-58405	238	3	engineering	engineering	NOUN
bibechana-58405	238	4	phonon	phonon	NOUN
bibechana-58405	238	5	transport	transport	NOUN
bibechana-58405	238	6	in	in	ADP
bibechana-58405	238	7	heusler	heusler	ADJ
bibechana-58405	238	8	thermoelectric	thermoelectric	ADJ
bibechana-58405	238	9	compounds	compound	NOUN
bibechana-58405	238	10	.	.	PUNCT
bibechana-58405	239	1	renewable	renewable	ADJ
bibechana-58405	239	2	and	and	CCONJ
bibechana-58405	239	3	sustainable	sustainable	ADJ
bibechana-58405	239	4	energy	energy	NOUN
bibechana-58405	239	5	reviews	review	NOUN
bibechana-58405	239	6	,	,	PUNCT
bibechana-58405	239	7	112:158–169	112:158–169	NUM
bibechana-58405	239	8	,	,	PUNCT
bibechana-58405	239	9	2019	2019	NUM
bibechana-58405	239	10	.	.	PUNCT
bibechana-58405	240	1	[	[	X
bibechana-58405	240	2	16	16	NUM
bibechana-58405	240	3	]	]	PUNCT
bibechana-58405	240	4	r.	r.	PROPN
bibechana-58405	240	5	he	he	PRON
bibechana-58405	240	6	,	,	PUNCT
bibechana-58405	240	7	t.	t.	PROPN
bibechana-58405	240	8	zhu	zhu	PROPN
bibechana-58405	240	9	,	,	PUNCT
bibechana-58405	240	10	y.	y.	PROPN
bibechana-58405	240	11	wang	wang	PROPN
bibechana-58405	240	12	,	,	PUNCT
bibechana-58405	240	13	u.	u.	PROPN
bibechana-58405	240	14	wolff	wolff	PROPN
bibechana-58405	240	15	,	,	PUNCT
bibechana-58405	240	16	j.	j.	PROPN
bibechana-58405	240	17	c.	c.	PROPN
bibechana-58405	240	18	jaud	jaud	PROPN
bibechana-58405	240	19	,	,	PUNCT
bibechana-58405	240	20	a.	a.	NOUN
bibechana-58405	240	21	sotnikov	sotnikov	PROPN
bibechana-58405	240	22	,	,	PUNCT
bibechana-58405	240	23	and	and	CCONJ
bibechana-58405	240	24	g.	g.	PROPN
bibechana-58405	240	25	schierning	schierning	PROPN
bibechana-58405	240	26	.	.	PUNCT
bibechana-58405	241	1	unveiling	unveil	VERB
bibechana-58405	241	2	the	the	DET
bibechana-58405	241	3	phonon	phonon	NOUN
bibechana-58405	241	4	scattering	scatter	VERB
bibechana-58405	241	5	mechanisms	mechanism	NOUN
bibechana-58405	241	6	in	in	ADP
bibechana-58405	241	7	half	half	ADJ
bibechana-58405	241	8	-	-	PUNCT
bibechana-58405	241	9	heusler	heusler	NOUN
bibechana-58405	241	10	thermoelectric	thermoelectric	ADJ
bibechana-58405	241	11	compounds	compound	NOUN
bibechana-58405	241	12	.	.	PUNCT
bibechana-58405	242	1	energy	energy	NOUN
bibechana-58405	242	2	&	&	CCONJ
bibechana-58405	242	3	environmental	environmental	ADJ
bibechana-58405	242	4	science	science	PROPN
bibechana-58405	242	5	,	,	PUNCT
bibechana-58405	242	6	13(12):5165–5176	13(12):5165–5176	PROPN
bibechana-58405	242	7	,	,	PUNCT
bibechana-58405	242	8	2020	2020	NUM
bibechana-58405	242	9	.	.	PUNCT
bibechana-58405	243	1	[	[	X
bibechana-58405	243	2	17	17	NUM
bibechana-58405	243	3	]	]	X
bibechana-58405	243	4	j.	j.	PROPN
bibechana-58405	243	5	m.	m.	PROPN
bibechana-58405	243	6	ziman	ziman	PROPN
bibechana-58405	243	7	.	.	PUNCT
bibechana-58405	244	1	electrons	electron	NOUN
bibechana-58405	244	2	and	and	CCONJ
bibechana-58405	244	3	phonons	phonon	NOUN
bibechana-58405	244	4	:	:	PUNCT
bibechana-58405	244	5	the	the	DET
bibechana-58405	244	6	theory	theory	NOUN
bibechana-58405	244	7	of	of	ADP
bibechana-58405	244	8	transport	transport	NOUN
bibechana-58405	244	9	phenomena	phenomenon	NOUN
bibechana-58405	244	10	in	in	ADP
bibechana-58405	244	11	solids	solid	NOUN
bibechana-58405	244	12	.	.	PUNCT
bibechana-58405	245	1	clarendon	clarendon	PROPN
bibechana-58405	245	2	,	,	PUNCT
bibechana-58405	245	3	oxford	oxford	PROPN
bibechana-58405	245	4	,	,	PUNCT
bibechana-58405	245	5	1960	1960	NUM
bibechana-58405	245	6	.	.	PUNCT
bibechana-58405	246	1	[	[	X
bibechana-58405	246	2	18	18	NUM
bibechana-58405	246	3	]	]	X
bibechana-58405	246	4	j.	j.	PROPN
bibechana-58405	246	5	j.	j.	PROPN
bibechana-58405	246	6	gutiérrez	gutiérrez	PROPN
bibechana-58405	246	7	moreno	moreno	PROPN
bibechana-58405	246	8	,	,	PUNCT
bibechana-58405	246	9	j.	j.	PROPN
bibechana-58405	246	10	cao	cao	PROPN
bibechana-58405	246	11	,	,	PUNCT
bibechana-58405	246	12	m.	m.	NOUN
bibechana-58405	246	13	fronzi	fronzi	PROPN
bibechana-58405	246	14	,	,	PUNCT
bibechana-58405	246	15	and	and	CCONJ
bibechana-58405	246	16	m.	m.	PROPN
bibechana-58405	246	17	h.	h.	PROPN
bibechana-58405	246	18	n.	n.	PROPN
bibechana-58405	246	19	assadi	assadi	PROPN
bibechana-58405	246	20	.	.	PUNCT
bibechana-58405	247	1	a	a	DET
bibechana-58405	247	2	review	review	NOUN
bibechana-58405	247	3	of	of	ADP
bibechana-58405	247	4	recent	recent	ADJ
bibechana-58405	247	5	progress	progress	NOUN
bibechana-58405	247	6	in	in	ADP
bibechana-58405	247	7	thermoelectric	thermoelectric	ADJ
bibechana-58405	247	8	materials	material	NOUN
bibechana-58405	247	9	through	through	ADP
bibechana-58405	247	10	computational	computational	ADJ
bibechana-58405	247	11	methods	method	NOUN
bibechana-58405	247	12	.	.	PUNCT
bibechana-58405	248	1	materials	material	NOUN
bibechana-58405	248	2	for	for	ADP
bibechana-58405	248	3	renewable	renewable	ADJ
bibechana-58405	248	4	and	and	CCONJ
bibechana-58405	248	5	sustainable	sustainable	ADJ
bibechana-58405	248	6	energy	energy	NOUN
bibechana-58405	248	7	,	,	PUNCT
bibechana-58405	248	8	9:1–22	9:1–22	NUM
bibechana-58405	248	9	,	,	PUNCT
bibechana-58405	248	10	2020	2020	NUM
bibechana-58405	248	11	.	.	PUNCT
bibechana-58405	249	1	[	[	X
bibechana-58405	249	2	19	19	NUM
bibechana-58405	249	3	]	]	X
bibechana-58405	249	4	w.	w.	PROPN
bibechana-58405	249	5	li	li	PROPN
bibechana-58405	249	6	,	,	PUNCT
bibechana-58405	249	7	j.	j.	PROPN
bibechana-58405	249	8	carrete	carrete	PROPN
bibechana-58405	249	9	,	,	PUNCT
bibechana-58405	249	10	n.	n.	PROPN
bibechana-58405	249	11	a.	a.	PROPN
bibechana-58405	249	12	katcho	katcho	PROPN
bibechana-58405	249	13	,	,	PUNCT
bibechana-58405	249	14	and	and	CCONJ
bibechana-58405	249	15	n.	n.	PROPN
bibechana-58405	249	16	mingo	mingo	PROPN
bibechana-58405	249	17	.	.	PUNCT
bibechana-58405	249	18	shengbte	shengbte	PROPN
bibechana-58405	249	19	:	:	PUNCT
bibechana-58405	249	20	a	a	DET
bibechana-58405	249	21	solver	solver	NOUN
bibechana-58405	249	22	of	of	ADP
bibechana-58405	249	23	the	the	DET
bibechana-58405	249	24	boltzmann	boltzmann	PROPN
bibechana-58405	249	25	transport	transport	NOUN
bibechana-58405	249	26	equation	equation	NOUN
bibechana-58405	249	27	for	for	ADP
bibechana-58405	249	28	phonons	phonon	NOUN
bibechana-58405	249	29	.	.	PUNCT
bibechana-58405	250	1	computer	computer	NOUN
bibechana-58405	250	2	physics	physics	NOUN
bibechana-58405	250	3	communications	communication	NOUN
bibechana-58405	250	4	,	,	PUNCT
bibechana-58405	250	5	185(6):1747–1758	185(6):1747–1758	NUM
bibechana-58405	250	6	,	,	PUNCT
bibechana-58405	250	7	2014	2014	NUM
bibechana-58405	250	8	.	.	PUNCT
bibechana-58405	251	1	[	[	X
bibechana-58405	251	2	20	20	NUM
bibechana-58405	251	3	]	]	PUNCT
bibechana-58405	251	4	a.	a.	NOUN
bibechana-58405	251	5	j.	j.	PROPN
bibechana-58405	251	6	mcgaughey	mcgaughey	PROPN
bibechana-58405	251	7	and	and	CCONJ
bibechana-58405	251	8	m.	m.	PROPN
bibechana-58405	251	9	kaviany	kaviany	PROPN
bibechana-58405	251	10	.	.	PUNCT
bibechana-58405	252	1	phonon	phonon	NOUN
bibechana-58405	252	2	transport	transport	NOUN
bibechana-58405	252	3	in	in	ADP
bibechana-58405	252	4	molecular	molecular	ADJ
bibechana-58405	252	5	dynamics	dynamic	NOUN
bibechana-58405	252	6	simulations	simulation	NOUN
bibechana-58405	252	7	:	:	PUNCT
bibechana-58405	252	8	formulation	formulation	NOUN
bibechana-58405	252	9	and	and	CCONJ
bibechana-58405	252	10	thermal	thermal	ADJ
bibechana-58405	252	11	conductivity	conductivity	NOUN
bibechana-58405	252	12	prediction	prediction	NOUN
bibechana-58405	252	13	.	.	PUNCT
bibechana-58405	253	1	advances	advance	NOUN
bibechana-58405	253	2	in	in	ADP
bibechana-58405	253	3	heat	heat	NOUN
bibechana-58405	253	4	transfer	transfer	NOUN
bibechana-58405	253	5	,	,	PUNCT
bibechana-58405	253	6	39:169–255	39:169–255	NUM
bibechana-58405	253	7	,	,	PUNCT
bibechana-58405	253	8	2006	2006	NUM
bibechana-58405	253	9	.	.	PUNCT
bibechana-58405	254	1	[	[	X
bibechana-58405	254	2	21	21	NUM
bibechana-58405	254	3	]	]	X
bibechana-58405	254	4	a.	a.	NOUN
bibechana-58405	254	5	petersen	petersen	PROPN
bibechana-58405	254	6	,	,	PUNCT
bibechana-58405	254	7	s.	s.	PROPN
bibechana-58405	254	8	bhattacharya	bhattacharya	PROPN
bibechana-58405	254	9	,	,	PUNCT
bibechana-58405	254	10	t.	t.	PROPN
bibechana-58405	254	11	m.	m.	NOUN
bibechana-58405	254	12	tritt	tritt	PROPN
bibechana-58405	254	13	,	,	PUNCT
bibechana-58405	254	14	and	and	CCONJ
bibechana-58405	254	15	s.	s.	PROPN
bibechana-58405	254	16	j.	j.	PROPN
bibechana-58405	254	17	poon	poon	PROPN
bibechana-58405	254	18	.	.	PUNCT
bibechana-58405	255	1	critical	critical	ADJ
bibechana-58405	255	2	analysis	analysis	NOUN
bibechana-58405	255	3	of	of	ADP
bibechana-58405	255	4	lattice	lattice	ADJ
bibechana-58405	255	5	thermal	thermal	ADJ
bibechana-58405	255	6	conductivity	conductivity	NOUN
bibechana-58405	255	7	of	of	ADP
bibechana-58405	255	8	half	half	ADJ
bibechana-58405	255	9	-	-	PUNCT
bibechana-58405	255	10	heusler	heusler	NOUN
bibechana-58405	255	11	alloys	alloy	NOUN
bibechana-58405	255	12	using	use	VERB
bibechana-58405	255	13	variations	variation	NOUN
bibechana-58405	255	14	of	of	ADP
bibechana-58405	255	15	callaway	callaway	PROPN
bibechana-58405	255	16	model	model	PROPN
bibechana-58405	255	17	.	.	PUNCT
bibechana-58405	256	1	journal	journal	PROPN
bibechana-58405	256	2	of	of	ADP
bibechana-58405	256	3	applied	applied	ADJ
bibechana-58405	256	4	physics	physic	NOUN
bibechana-58405	256	5	,	,	PUNCT
bibechana-58405	256	6	117(3	117(3	NUM
bibechana-58405	256	7	)	)	PUNCT
bibechana-58405	256	8	,	,	PUNCT
bibechana-58405	256	9	2015	2015	NUM
bibechana-58405	256	10	.	.	PUNCT
bibechana-58405	257	1	[	[	X
bibechana-58405	257	2	22	22	NUM
bibechana-58405	257	3	]	]	X
bibechana-58405	257	4	d.	d.	PROPN
bibechana-58405	257	5	t.	t.	PROPN
bibechana-58405	257	6	morelli	morelli	PROPN
bibechana-58405	257	7	and	and	CCONJ
bibechana-58405	257	8	g.	g.	PROPN
bibechana-58405	257	9	a.	a.	NOUN
bibechana-58405	257	10	slack	slack	PROPN
bibechana-58405	257	11	.	.	PUNCT
bibechana-58405	258	1	high	high	ADJ
bibechana-58405	258	2	lattice	lattice	PROPN
bibechana-58405	258	3	thermal	thermal	ADJ
bibechana-58405	258	4	conductivity	conductivity	NOUN
bibechana-58405	258	5	solids	solid	NOUN
bibechana-58405	258	6	.	.	PUNCT
bibechana-58405	259	1	high	high	ADJ
bibechana-58405	259	2	thermal	thermal	ADJ
bibechana-58405	259	3	conductivity	conductivity	NOUN
bibechana-58405	259	4	materials	material	NOUN
bibechana-58405	259	5	,	,	PUNCT
bibechana-58405	259	6	pages	page	NOUN
bibechana-58405	259	7	37–68	37–68	NUM
bibechana-58405	259	8	,	,	PUNCT
bibechana-58405	259	9	2006	2006	NUM
bibechana-58405	259	10	.	.	PUNCT
bibechana-58405	260	1	prakash	prakash	PROPN
bibechana-58405	260	2	khatri	khatri	PROPN
bibechana-58405	260	3	and	and	CCONJ
bibechana-58405	260	4	n.	n.	PROPN
bibechana-58405	260	5	p.	p.	NOUN
bibechana-58405	260	6	adhikari/	adhikari/	NUM
bibechana-58405	260	7	bibechana	bibechana	NOUN
bibechana-58405	260	8	21	21	NUM
bibechana-58405	260	9	(	(	PUNCT
bibechana-58405	260	10	2024	2024	NUM
bibechana-58405	260	11	)	)	PUNCT
bibechana-58405	260	12	12	12	NUM
bibechana-58405	260	13	-	-	SYM
bibechana-58405	260	14	22	22	NUM
bibechana-58405	260	15	21	21	NUM
bibechana-58405	260	16	[	[	X
bibechana-58405	260	17	23	23	NUM
bibechana-58405	260	18	]	]	X
bibechana-58405	260	19	r.	r.	PROPN
bibechana-58405	260	20	tranås	tranås	PROPN
bibechana-58405	260	21	,	,	PUNCT
bibechana-58405	260	22	o.	o.	PROPN
bibechana-58405	260	23	m.	m.	PROPN
bibechana-58405	260	24	løvvik	løvvik	PROPN
bibechana-58405	260	25	,	,	PUNCT
bibechana-58405	260	26	o.	o.	NOUN
bibechana-58405	260	27	tomic	tomic	NOUN
bibechana-58405	260	28	,	,	PUNCT
bibechana-58405	260	29	and	and	CCONJ
bibechana-58405	260	30	k.	k.	PROPN
bibechana-58405	260	31	berland	berland	PROPN
bibechana-58405	260	32	.	.	PUNCT
bibechana-58405	261	1	lattice	lattice	PROPN
bibechana-58405	261	2	thermal	thermal	ADJ
bibechana-58405	261	3	conductivity	conductivity	NOUN
bibechana-58405	261	4	of	of	ADP
bibechana-58405	261	5	half	half	ADJ
bibechana-58405	261	6	-	-	PUNCT
bibechana-58405	261	7	heuslers	heusler	NOUN
bibechana-58405	261	8	with	with	ADP
bibechana-58405	261	9	density	density	NOUN
bibechana-58405	261	10	functional	functional	ADJ
bibechana-58405	261	11	theory	theory	NOUN
bibechana-58405	261	12	and	and	CCONJ
bibechana-58405	261	13	machine	machine	NOUN
bibechana-58405	261	14	learning	learning	NOUN
bibechana-58405	261	15	:	:	PUNCT
bibechana-58405	261	16	enhancing	enhance	VERB
bibechana-58405	261	17	predictivity	predictivity	NOUN
bibechana-58405	261	18	by	by	ADP
bibechana-58405	261	19	active	active	ADJ
bibechana-58405	261	20	sampling	sampling	NOUN
bibechana-58405	261	21	with	with	ADP
bibechana-58405	261	22	principal	principal	ADJ
bibechana-58405	261	23	component	component	NOUN
bibechana-58405	261	24	analysis	analysis	NOUN
bibechana-58405	261	25	.	.	PUNCT
bibechana-58405	262	1	computational	computational	ADJ
bibechana-58405	262	2	materials	material	NOUN
bibechana-58405	262	3	science	science	NOUN
bibechana-58405	262	4	,	,	PUNCT
bibechana-58405	262	5	202:110938	202:110938	NUM
bibechana-58405	262	6	,	,	PUNCT
bibechana-58405	262	7	2022	2022	NUM
bibechana-58405	262	8	.	.	PUNCT
bibechana-58405	263	1	[	[	X
bibechana-58405	263	2	24	24	NUM
bibechana-58405	263	3	]	]	PUNCT
bibechana-58405	263	4	s.	s.	PROPN
bibechana-58405	263	5	n.	n.	PROPN
bibechana-58405	263	6	h.	h.	PROPN
bibechana-58405	263	7	eliassen	eliassen	PROPN
bibechana-58405	263	8	.	.	PUNCT
bibechana-58405	264	1	a	a	DET
bibechana-58405	264	2	first	first	ADJ
bibechana-58405	264	3	principles	principle	NOUN
bibechana-58405	264	4	study	study	NOUN
bibechana-58405	264	5	of	of	ADP
bibechana-58405	264	6	lattice	lattice	PROPN
bibechana-58405	264	7	thermal	thermal	ADJ
bibechana-58405	264	8	conductivity	conductivity	NOUN
bibechana-58405	264	9	in	in	ADP
bibechana-58405	264	10	xnisn	xnisn	PROPN
bibechana-58405	264	11	(	(	PUNCT
bibechana-58405	264	12	x=	x=	X
bibechana-58405	264	13	ti	ti	PROPN
bibechana-58405	264	14	,	,	PUNCT
bibechana-58405	264	15	zr	zr	PROPN
bibechana-58405	264	16	,	,	PUNCT
bibechana-58405	264	17	hf	hf	NOUN
bibechana-58405	264	18	)	)	PUNCT
bibechana-58405	264	19	half	half	ADJ
bibechana-58405	264	20	-	-	PUNCT
bibechana-58405	264	21	heusler	heusler	NOUN
bibechana-58405	264	22	alloys	alloy	NOUN
bibechana-58405	264	23	for	for	ADP
bibechana-58405	264	24	thermoelectric	thermoelectric	ADJ
bibechana-58405	264	25	applications	application	NOUN
bibechana-58405	264	26	,	,	PUNCT
bibechana-58405	264	27	2016	2016	NUM
bibechana-58405	264	28	.	.	PUNCT
bibechana-58405	265	1	[	[	X
bibechana-58405	265	2	25	25	NUM
bibechana-58405	265	3	]	]	X
bibechana-58405	265	4	j.	j.	PROPN
bibechana-58405	265	5	carrete	carrete	PROPN
bibechana-58405	265	6	,	,	PUNCT
bibechana-58405	265	7	w.	w.	PROPN
bibechana-58405	265	8	li	li	PROPN
bibechana-58405	265	9	,	,	PUNCT
bibechana-58405	265	10	n.	n.	PROPN
bibechana-58405	265	11	mingo	mingo	PROPN
bibechana-58405	265	12	,	,	PUNCT
bibechana-58405	265	13	s.	s.	PROPN
bibechana-58405	265	14	wang	wang	PROPN
bibechana-58405	265	15	,	,	PUNCT
bibechana-58405	265	16	and	and	CCONJ
bibechana-58405	265	17	s.	s.	PROPN
bibechana-58405	265	18	curtarolo	curtarolo	PROPN
bibechana-58405	265	19	.	.	PUNCT
bibechana-58405	266	1	finding	find	VERB
bibechana-58405	266	2	unprecedentedly	unprecedentedly	ADV
bibechana-58405	266	3	lowthermal	lowthermal	ADJ
bibechana-58405	266	4	-	-	PUNCT
bibechana-58405	266	5	conductivity	conductivity	NOUN
bibechana-58405	266	6	half	half	ADJ
bibechana-58405	266	7	-	-	PUNCT
bibechana-58405	266	8	heusler	heusler	NOUN
bibechana-58405	266	9	semiconductors	semiconductor	NOUN
bibechana-58405	266	10	via	via	ADP
bibechana-58405	266	11	high	high	ADJ
bibechana-58405	266	12	-	-	PUNCT
bibechana-58405	266	13	throughput	throughput	NOUN
bibechana-58405	266	14	materials	material	NOUN
bibechana-58405	266	15	modeling	modeling	NOUN
bibechana-58405	266	16	.	.	PUNCT
bibechana-58405	267	1	physical	physical	ADJ
bibechana-58405	267	2	review	review	PROPN
bibechana-58405	267	3	x	x	X
bibechana-58405	267	4	,	,	PUNCT
bibechana-58405	267	5	4(1):011019	4(1):011019	NUM
bibechana-58405	267	6	,	,	PUNCT
bibechana-58405	267	7	2014	2014	NUM
bibechana-58405	267	8	.	.	PUNCT
bibechana-58405	268	1	[	[	X
bibechana-58405	268	2	26	26	NUM
bibechana-58405	268	3	]	]	X
bibechana-58405	268	4	h.	h.	PROPN
bibechana-58405	268	5	muta	muta	PROPN
bibechana-58405	268	6	,	,	PUNCT
bibechana-58405	268	7	t.	t.	PROPN
bibechana-58405	268	8	yamaguchi	yamaguchi	PROPN
bibechana-58405	268	9	,	,	PUNCT
bibechana-58405	268	10	k.	k.	PROPN
bibechana-58405	268	11	kurosaki	kurosaki	PROPN
bibechana-58405	268	12	,	,	PUNCT
bibechana-58405	268	13	and	and	CCONJ
bibechana-58405	268	14	s.	s.	PROPN
bibechana-58405	268	15	yamanaka	yamanaka	PROPN
bibechana-58405	268	16	.	.	PUNCT
bibechana-58405	269	1	thermoelectric	thermoelectric	ADJ
bibechana-58405	269	2	properties	property	NOUN
bibechana-58405	269	3	of	of	ADP
bibechana-58405	269	4	zrnisn	zrnisn	NUM
bibechana-58405	269	5	based	base	VERB
bibechana-58405	269	6	half	half	NOUN
bibechana-58405	269	7	heusler	heusler	NOUN
bibechana-58405	269	8	compounds	compound	NOUN
bibechana-58405	269	9	.	.	PUNCT
bibechana-58405	270	1	in	in	ADP
bibechana-58405	270	2	ict	ict	PROPN
bibechana-58405	270	3	2005	2005	NUM
bibechana-58405	270	4	.	.	PUNCT
bibechana-58405	271	1	24th	24th	ADJ
bibechana-58405	271	2	international	international	ADJ
bibechana-58405	271	3	conference	conference	NOUN
bibechana-58405	271	4	on	on	ADP
bibechana-58405	271	5	thermoelectrics	thermoelectric	NOUN
bibechana-58405	271	6	,	,	PUNCT
bibechana-58405	271	7	pages	page	NOUN
bibechana-58405	271	8	351–354	351–354	NUM
bibechana-58405	271	9	,	,	PUNCT
bibechana-58405	271	10	2005	2005	NUM
bibechana-58405	271	11	.	.	PUNCT
bibechana-58405	272	1	[	[	X
bibechana-58405	272	2	27	27	NUM
bibechana-58405	272	3	]	]	X
bibechana-58405	272	4	q.	q.	PROPN
bibechana-58405	272	5	shen	shen	PROPN
bibechana-58405	272	6	,	,	PUNCT
bibechana-58405	272	7	l.	l.	PROPN
bibechana-58405	272	8	zhang	zhang	PROPN
bibechana-58405	272	9	,	,	PUNCT
bibechana-58405	272	10	l.	l.	PROPN
bibechana-58405	272	11	chen	chen	PROPN
bibechana-58405	272	12	,	,	PUNCT
bibechana-58405	272	13	t.	t.	PROPN
bibechana-58405	272	14	goto	goto	NOUN
bibechana-58405	272	15	,	,	PUNCT
bibechana-58405	272	16	and	and	CCONJ
bibechana-58405	272	17	t.	t.	PROPN
bibechana-58405	272	18	hirai	hirai	PROPN
bibechana-58405	272	19	.	.	PUNCT
bibechana-58405	273	1	thermoelectric	thermoelectric	ADJ
bibechana-58405	273	2	properties	property	NOUN
bibechana-58405	273	3	of	of	ADP
bibechana-58405	273	4	zrnisnbased	zrnisnbased	ADJ
bibechana-58405	273	5	half	half	ADJ
bibechana-58405	273	6	-	-	PUNCT
bibechana-58405	273	7	heusler	heusler	NOUN
bibechana-58405	273	8	compounds	compound	NOUN
bibechana-58405	273	9	by	by	ADP
bibechana-58405	273	10	solid	solid	ADJ
bibechana-58405	273	11	state	state	NOUN
bibechana-58405	273	12	reaction	reaction	NOUN
bibechana-58405	273	13	method	method	NOUN
bibechana-58405	273	14	.	.	PUNCT
bibechana-58405	274	1	journal	journal	NOUN
bibechana-58405	274	2	of	of	ADP
bibechana-58405	274	3	materials	material	NOUN
bibechana-58405	274	4	science	science	NOUN
bibechana-58405	274	5	letters	letter	NOUN
bibechana-58405	274	6	,	,	PUNCT
bibechana-58405	274	7	20(24):2197–2199	20(24):2197–2199	NUM
bibechana-58405	274	8	,	,	PUNCT
bibechana-58405	274	9	2001	2001	NUM
bibechana-58405	274	10	.	.	PUNCT
bibechana-58405	275	1	[	[	X
bibechana-58405	275	2	28	28	NUM
bibechana-58405	275	3	]	]	X
bibechana-58405	275	4	y.	y.	NOUN
bibechana-58405	275	5	kimura	kimura	PROPN
bibechana-58405	275	6	and	and	CCONJ
bibechana-58405	275	7	y.	y.	PROPN
bibechana-58405	275	8	w.	w.	PROPN
bibechana-58405	275	9	chai	chai	PROPN
bibechana-58405	275	10	.	.	PUNCT
bibechana-58405	276	1	ordered	order	VERB
bibechana-58405	276	2	structures	structure	NOUN
bibechana-58405	276	3	and	and	CCONJ
bibechana-58405	276	4	thermoelectric	thermoelectric	ADJ
bibechana-58405	276	5	properties	property	NOUN
bibechana-58405	276	6	of	of	ADP
bibechana-58405	276	7	mnisn	mnisn	NOUN
bibechana-58405	276	8	(	(	PUNCT
bibechana-58405	276	9	m=	m=	X
bibechana-58405	276	10	ti	ti	PROPN
bibechana-58405	276	11	,	,	PUNCT
bibechana-58405	276	12	zr	zr	PROPN
bibechana-58405	276	13	,	,	PUNCT
bibechana-58405	276	14	hf)-based	hf)-base	VERB
bibechana-58405	276	15	half	half	ADJ
bibechana-58405	276	16	-	-	PUNCT
bibechana-58405	276	17	heusler	heusler	NOUN
bibechana-58405	276	18	compounds	compound	NOUN
bibechana-58405	276	19	affected	affect	VERB
bibechana-58405	276	20	by	by	ADP
bibechana-58405	276	21	close	close	ADJ
bibechana-58405	276	22	relationship	relationship	NOUN
bibechana-58405	276	23	with	with	ADP
bibechana-58405	276	24	heusler	heusler	NOUN
bibechana-58405	276	25	compounds	compound	NOUN
bibechana-58405	276	26	.	.	PUNCT
bibechana-58405	277	1	jom	jom	PROPN
bibechana-58405	277	2	,	,	PUNCT
bibechana-58405	277	3	67:233–245	67:233–245	PROPN
bibechana-58405	277	4	,	,	PUNCT
bibechana-58405	277	5	2015	2015	NUM
bibechana-58405	277	6	.	.	PUNCT
bibechana-58405	278	1	[	[	X
bibechana-58405	278	2	29	29	NUM
bibechana-58405	278	3	]	]	PUNCT
bibechana-58405	278	4	p.	p.	NOUN
bibechana-58405	278	5	o.	o.	PROPN
bibechana-58405	278	6	adebambo	adebambo	PROPN
bibechana-58405	278	7	,	,	PUNCT
bibechana-58405	278	8	b.	b.	PROPN
bibechana-58405	278	9	i.	i.	PROPN
bibechana-58405	278	10	adetunji	adetunji	PROPN
bibechana-58405	278	11	,	,	PUNCT
bibechana-58405	278	12	o.	o.	PROPN
bibechana-58405	278	13	t.	t.	PROPN
bibechana-58405	278	14	uto	uto	PROPN
bibechana-58405	278	15	,	,	PUNCT
bibechana-58405	278	16	s.	s.	PROPN
bibechana-58405	278	17	kenmoe	kenmoe	PROPN
bibechana-58405	278	18	,	,	PUNCT
bibechana-58405	278	19	and	and	CCONJ
bibechana-58405	278	20	g.	g.	PROPN
bibechana-58405	278	21	a.	a.	PROPN
bibechana-58405	278	22	adebayo	adebayo	PROPN
bibechana-58405	278	23	.	.	PUNCT
bibechana-58405	279	1	firstprinciples	firstprinciple	VERB
bibechana-58405	279	2	calculations	calculation	NOUN
bibechana-58405	279	3	of	of	ADP
bibechana-58405	279	4	the	the	DET
bibechana-58405	279	5	phonon	phonon	NOUN
bibechana-58405	279	6	,	,	PUNCT
bibechana-58405	279	7	mechanical	mechanical	ADJ
bibechana-58405	279	8	and	and	CCONJ
bibechana-58405	279	9	thermoelectric	thermoelectric	ADJ
bibechana-58405	279	10	properties	property	NOUN
bibechana-58405	279	11	of	of	ADP
bibechana-58405	279	12	halfheusler	halfheusler	NOUN
bibechana-58405	279	13	alloy	alloy	NOUN
bibechana-58405	279	14	virsi	virsi	NOUN
bibechana-58405	279	15	alloys	alloy	NOUN
bibechana-58405	279	16	.	.	PUNCT
bibechana-58405	280	1	crystals	crystal	NOUN
bibechana-58405	280	2	,	,	PUNCT
bibechana-58405	280	3	12(12):1838	12(12):1838	NUM
bibechana-58405	280	4	,	,	PUNCT
bibechana-58405	280	5	2022	2022	NUM
bibechana-58405	280	6	.	.	PUNCT
bibechana-58405	281	1	[	[	X
bibechana-58405	281	2	30	30	NUM
bibechana-58405	281	3	]	]	PUNCT
bibechana-58405	281	4	s.	s.	PROPN
bibechana-58405	281	5	baroni	baroni	PROPN
bibechana-58405	281	6	,	,	PUNCT
bibechana-58405	281	7	s.	s.	PROPN
bibechana-58405	281	8	de	de	PROPN
bibechana-58405	281	9	gironcoli	gironcoli	PROPN
bibechana-58405	281	10	,	,	PUNCT
bibechana-58405	281	11	a.	a.	PROPN
bibechana-58405	281	12	dal	dal	NOUN
bibechana-58405	281	13	corso	corso	PROPN
bibechana-58405	281	14	,	,	PUNCT
bibechana-58405	281	15	and	and	CCONJ
bibechana-58405	281	16	p.	p.	NOUN
bibechana-58405	281	17	giannozzi	giannozzi	NOUN
bibechana-58405	281	18	.	.	PUNCT
bibechana-58405	282	1	phonons	phonon	NOUN
bibechana-58405	282	2	and	and	CCONJ
bibechana-58405	282	3	related	relate	VERB
bibechana-58405	282	4	crystal	crystal	NOUN
bibechana-58405	282	5	properties	property	NOUN
bibechana-58405	282	6	from	from	ADP
bibechana-58405	282	7	density	density	NOUN
bibechana-58405	282	8	-	-	PUNCT
bibechana-58405	282	9	functional	functional	ADJ
bibechana-58405	282	10	perturbation	perturbation	NOUN
bibechana-58405	282	11	theory	theory	NOUN
bibechana-58405	282	12	.	.	PUNCT
bibechana-58405	283	1	reviews	review	NOUN
bibechana-58405	283	2	of	of	ADP
bibechana-58405	283	3	modern	modern	ADJ
bibechana-58405	283	4	physics	physic	NOUN
bibechana-58405	283	5	,	,	PUNCT
bibechana-58405	283	6	73(2):515	73(2):515	NOUN
bibechana-58405	283	7	,	,	PUNCT
bibechana-58405	283	8	2001	2001	NUM
bibechana-58405	283	9	.	.	PUNCT
bibechana-58405	284	1	[	[	X
bibechana-58405	284	2	31	31	NUM
bibechana-58405	284	3	]	]	PUNCT
bibechana-58405	284	4	p.	p.	NOUN
bibechana-58405	284	5	hohenberg	hohenberg	PROPN
bibechana-58405	284	6	and	and	CCONJ
bibechana-58405	284	7	w.	w.	PROPN
bibechana-58405	284	8	kohn	kohn	PROPN
bibechana-58405	284	9	.	.	PUNCT
bibechana-58405	285	1	inhomogeneous	inhomogeneous	ADJ
bibechana-58405	285	2	electron	electron	NOUN
bibechana-58405	285	3	gas	gas	NOUN
bibechana-58405	285	4	.	.	PUNCT
bibechana-58405	286	1	physical	physical	ADJ
bibechana-58405	286	2	review	review	PROPN
bibechana-58405	286	3	,	,	PUNCT
bibechana-58405	286	4	136(3b):b864	136(3b):b864	NUM
bibechana-58405	286	5	,	,	PUNCT
bibechana-58405	286	6	1964	1964	NUM
bibechana-58405	286	7	.	.	PUNCT
bibechana-58405	287	1	[	[	X
bibechana-58405	287	2	32	32	NUM
bibechana-58405	287	3	]	]	PUNCT
bibechana-58405	287	4	p.	p.	NOUN
bibechana-58405	287	5	giannozzi	giannozzi	NOUN
bibechana-58405	287	6	,	,	PUNCT
bibechana-58405	287	7	s.	s.	PROPN
bibechana-58405	287	8	baroni	baroni	PROPN
bibechana-58405	287	9	,	,	PUNCT
bibechana-58405	287	10	n.	n.	PROPN
bibechana-58405	287	11	bonini	bonini	PROPN
bibechana-58405	287	12	,	,	PUNCT
bibechana-58405	287	13	m.	m.	NOUN
bibechana-58405	287	14	calandra	calandra	PROPN
bibechana-58405	287	15	,	,	PUNCT
bibechana-58405	287	16	r.	r.	PROPN
bibechana-58405	287	17	car	car	PROPN
bibechana-58405	287	18	,	,	PUNCT
bibechana-58405	287	19	c.	c.	PROPN
bibechana-58405	287	20	cavazzoni	cavazzoni	PROPN
bibechana-58405	287	21	,	,	PUNCT
bibechana-58405	287	22	and	and	CCONJ
bibechana-58405	287	23	r.	r.	PROPN
bibechana-58405	287	24	m.	m.	PROPN
bibechana-58405	287	25	wentzcovitch	wentzcovitch	AUX
bibechana-58405	287	26	.	.	PUNCT
bibechana-58405	288	1	quantum	quantum	ADJ
bibechana-58405	288	2	espresso	espresso	NOUN
bibechana-58405	288	3	:	:	PUNCT
bibechana-58405	288	4	a	a	DET
bibechana-58405	288	5	modular	modular	ADJ
bibechana-58405	288	6	and	and	CCONJ
bibechana-58405	288	7	open	open	ADJ
bibechana-58405	288	8	-	-	PUNCT
bibechana-58405	288	9	source	source	NOUN
bibechana-58405	288	10	software	software	NOUN
bibechana-58405	288	11	project	project	NOUN
bibechana-58405	288	12	for	for	ADP
bibechana-58405	288	13	quantum	quantum	ADJ
bibechana-58405	288	14	simulations	simulation	NOUN
bibechana-58405	288	15	of	of	ADP
bibechana-58405	288	16	materials	material	NOUN
bibechana-58405	288	17	.	.	PUNCT
bibechana-58405	289	1	journal	journal	PROPN
bibechana-58405	289	2	of	of	ADP
bibechana-58405	289	3	physics	physics	PROPN
bibechana-58405	289	4	:	:	PUNCT
bibechana-58405	289	5	condensed	condense	VERB
bibechana-58405	289	6	matter	matter	NOUN
bibechana-58405	289	7	,	,	PUNCT
bibechana-58405	289	8	21(39):395502	21(39):395502	NUM
bibechana-58405	289	9	,	,	PUNCT
bibechana-58405	289	10	2009	2009	NUM
bibechana-58405	289	11	.	.	PUNCT
bibechana-58405	290	1	[	[	X
bibechana-58405	290	2	33	33	NUM
bibechana-58405	290	3	]	]	PUNCT
bibechana-58405	290	4	j.	j.	PROPN
bibechana-58405	290	5	p.	p.	PROPN
bibechana-58405	290	6	perdew	perdew	PROPN
bibechana-58405	290	7	,	,	PUNCT
bibechana-58405	290	8	k.	k.	PROPN
bibechana-58405	290	9	burke	burke	PROPN
bibechana-58405	290	10	,	,	PUNCT
bibechana-58405	290	11	and	and	CCONJ
bibechana-58405	290	12	m.	m.	NOUN
bibechana-58405	290	13	ernzerhof	ernzerhof	NOUN
bibechana-58405	290	14	.	.	PUNCT
bibechana-58405	291	1	generalized	generalized	ADJ
bibechana-58405	291	2	gradient	gradient	NOUN
bibechana-58405	291	3	approximation	approximation	NOUN
bibechana-58405	291	4	made	make	VERB
bibechana-58405	291	5	simple	simple	ADJ
bibechana-58405	291	6	.	.	PUNCT
bibechana-58405	292	1	physical	physical	ADJ
bibechana-58405	292	2	review	review	NOUN
bibechana-58405	292	3	letters	letter	NOUN
bibechana-58405	292	4	,	,	PUNCT
bibechana-58405	292	5	77(18):3865	77(18):3865	NUM
bibechana-58405	292	6	,	,	PUNCT
bibechana-58405	292	7	1996	1996	NUM
bibechana-58405	292	8	.	.	PUNCT
bibechana-58405	293	1	[	[	X
bibechana-58405	293	2	34	34	NUM
bibechana-58405	293	3	]	]	X
bibechana-58405	293	4	s.	s.	PROPN
bibechana-58405	293	5	grimme	grimme	PROPN
bibechana-58405	293	6	.	.	PUNCT
bibechana-58405	294	1	accurate	accurate	ADJ
bibechana-58405	294	2	description	description	NOUN
bibechana-58405	294	3	of	of	ADP
bibechana-58405	294	4	van	van	PROPN
bibechana-58405	294	5	der	der	NOUN
bibechana-58405	294	6	waals	waal	NOUN
bibechana-58405	294	7	complexes	complex	NOUN
bibechana-58405	294	8	by	by	ADP
bibechana-58405	294	9	density	density	NOUN
bibechana-58405	294	10	functional	functional	ADJ
bibechana-58405	294	11	theory	theory	NOUN
bibechana-58405	294	12	including	include	VERB
bibechana-58405	294	13	empirical	empirical	ADJ
bibechana-58405	294	14	corrections	correction	NOUN
bibechana-58405	294	15	.	.	PUNCT
bibechana-58405	295	1	journal	journal	NOUN
bibechana-58405	295	2	of	of	ADP
bibechana-58405	295	3	computational	computational	ADJ
bibechana-58405	295	4	chemistry	chemistry	NOUN
bibechana-58405	295	5	,	,	PUNCT
bibechana-58405	295	6	25(12):1463–1473	25(12):1463–1473	NUM
bibechana-58405	295	7	,	,	PUNCT
bibechana-58405	295	8	2004	2004	NUM
bibechana-58405	295	9	.	.	PUNCT
bibechana-58405	296	1	[	[	X
bibechana-58405	296	2	35	35	NUM
bibechana-58405	296	3	]	]	X
bibechana-58405	296	4	h.	h.	PROPN
bibechana-58405	296	5	j.	j.	PROPN
bibechana-58405	296	6	monkhorst	monkhorst	PROPN
bibechana-58405	296	7	and	and	CCONJ
bibechana-58405	296	8	j.	j.	PROPN
bibechana-58405	296	9	d.	d.	PROPN
bibechana-58405	296	10	pack	pack	PROPN
bibechana-58405	296	11	.	.	PUNCT
bibechana-58405	297	1	special	special	ADJ
bibechana-58405	297	2	points	point	NOUN
bibechana-58405	297	3	for	for	ADP
bibechana-58405	297	4	brillouin	brillouin	NOUN
bibechana-58405	297	5	-	-	PUNCT
bibechana-58405	297	6	zone	zone	NOUN
bibechana-58405	297	7	integrations	integration	NOUN
bibechana-58405	297	8	.	.	PUNCT
bibechana-58405	298	1	physical	physical	ADJ
bibechana-58405	298	2	review	review	PROPN
bibechana-58405	298	3	b	b	PROPN
bibechana-58405	298	4	,	,	PUNCT
bibechana-58405	298	5	13(12):5188	13(12):5188	NUM
bibechana-58405	298	6	,	,	PUNCT
bibechana-58405	298	7	1976	1976	NUM
bibechana-58405	298	8	.	.	PUNCT
bibechana-58405	299	1	[	[	X
bibechana-58405	299	2	36	36	NUM
bibechana-58405	299	3	]	]	X
bibechana-58405	299	4	n.	n.	NOUN
bibechana-58405	299	5	marzari	marzari	PROPN
bibechana-58405	299	6	,	,	PUNCT
bibechana-58405	299	7	d.	d.	PROPN
bibechana-58405	299	8	vanderbilt	vanderbilt	PROPN
bibechana-58405	299	9	,	,	PUNCT
bibechana-58405	299	10	a.	a.	PROPN
bibechana-58405	299	11	de	de	X
bibechana-58405	299	12	vita	vita	PROPN
bibechana-58405	299	13	,	,	PUNCT
bibechana-58405	299	14	and	and	CCONJ
bibechana-58405	299	15	m.	m.	PROPN
bibechana-58405	299	16	c.	c.	PROPN
bibechana-58405	299	17	payne	payne	PROPN
bibechana-58405	299	18	.	.	PUNCT
bibechana-58405	300	1	thermal	thermal	ADJ
bibechana-58405	300	2	contraction	contraction	NOUN
bibechana-58405	300	3	and	and	CCONJ
bibechana-58405	300	4	disordering	disordering	NOUN
bibechana-58405	300	5	of	of	ADP
bibechana-58405	300	6	the	the	DET
bibechana-58405	300	7	al	al	PROPN
bibechana-58405	300	8	(	(	PUNCT
bibechana-58405	300	9	110	110	NUM
bibechana-58405	300	10	)	)	PUNCT
bibechana-58405	300	11	surface	surface	NOUN
bibechana-58405	300	12	.	.	PUNCT
bibechana-58405	301	1	physical	physical	ADJ
bibechana-58405	301	2	review	review	NOUN
bibechana-58405	301	3	letters	letter	NOUN
bibechana-58405	301	4	,	,	PUNCT
bibechana-58405	301	5	82(16):3296	82(16):3296	NUM
bibechana-58405	301	6	,	,	PUNCT
bibechana-58405	301	7	1999	1999	NUM
bibechana-58405	301	8	.	.	PUNCT
bibechana-58405	302	1	[	[	X
bibechana-58405	302	2	37	37	NUM
bibechana-58405	302	3	]	]	X
bibechana-58405	302	4	f.	f.	PROPN
bibechana-58405	302	5	d.	d.	PROPN
bibechana-58405	302	6	murnaghan	murnaghan	PROPN
bibechana-58405	302	7	.	.	PUNCT
bibechana-58405	303	1	the	the	DET
bibechana-58405	303	2	compressibility	compressibility	NOUN
bibechana-58405	303	3	of	of	ADP
bibechana-58405	303	4	media	medium	NOUN
bibechana-58405	303	5	under	under	ADP
bibechana-58405	303	6	extreme	extreme	ADJ
bibechana-58405	303	7	pressures	pressure	NOUN
bibechana-58405	303	8	.	.	PUNCT
bibechana-58405	304	1	proceedings	proceeding	NOUN
bibechana-58405	304	2	of	of	ADP
bibechana-58405	304	3	the	the	DET
bibechana-58405	304	4	national	national	PROPN
bibechana-58405	304	5	academy	academy	PROPN
bibechana-58405	304	6	of	of	ADP
bibechana-58405	304	7	sciences	sciences	PROPN
bibechana-58405	304	8	,	,	PUNCT
bibechana-58405	304	9	30(9):244–247	30(9):244–247	PROPN
bibechana-58405	304	10	,	,	PUNCT
bibechana-58405	304	11	1944	1944	NUM
bibechana-58405	304	12	.	.	PUNCT
bibechana-58405	305	1	[	[	X
bibechana-58405	305	2	38	38	NUM
bibechana-58405	305	3	]	]	PUNCT
bibechana-58405	305	4	f.	f.	PROPN
bibechana-58405	305	5	g.	g.	PROPN
bibechana-58405	305	6	aliev	aliev	PROPN
bibechana-58405	305	7	,	,	PUNCT
bibechana-58405	305	8	n.	n.	PROPN
bibechana-58405	305	9	b.	b.	PROPN
bibechana-58405	305	10	brandt	brandt	PROPN
bibechana-58405	305	11	,	,	PUNCT
bibechana-58405	305	12	v.	v.	PROPN
bibechana-58405	305	13	v.	v.	PROPN
bibechana-58405	305	14	moshchalkov	moshchalkov	PROPN
bibechana-58405	305	15	,	,	PUNCT
bibechana-58405	305	16	v.	v.	CCONJ
bibechana-58405	305	17	v.	v.	ADP
bibechana-58405	305	18	kozyrkov	kozyrkov	PROPN
bibechana-58405	305	19	,	,	PUNCT
bibechana-58405	305	20	r.	r.	PROPN
bibechana-58405	305	21	v.	v.	PROPN
bibechana-58405	305	22	skolozdra	skolozdra	PROPN
bibechana-58405	305	23	,	,	PUNCT
bibechana-58405	305	24	and	and	CCONJ
bibechana-58405	305	25	a.	a.	PROPN
bibechana-58405	305	26	i.	i.	PROPN
bibechana-58405	305	27	belogorokhov	belogorokhov	PROPN
bibechana-58405	305	28	.	.	PUNCT
bibechana-58405	306	1	gap	gap	NOUN
bibechana-58405	306	2	at	at	ADP
bibechana-58405	306	3	the	the	DET
bibechana-58405	306	4	fermi	fermi	NOUN
bibechana-58405	306	5	level	level	NOUN
bibechana-58405	306	6	in	in	ADP
bibechana-58405	306	7	the	the	DET
bibechana-58405	306	8	intermetallic	intermetallic	ADJ
bibechana-58405	306	9	vacancy	vacancy	NOUN
bibechana-58405	306	10	system	system	NOUN
bibechana-58405	306	11	rbisn	rbisn	PROPN
bibechana-58405	306	12	(	(	PUNCT
bibechana-58405	306	13	r=	r=	ADJ
bibechana-58405	306	14	ti	ti	NOUN
bibechana-58405	306	15	,	,	PUNCT
bibechana-58405	306	16	zr	zr	PROPN
bibechana-58405	306	17	,	,	PUNCT
bibechana-58405	306	18	hf	hf	NOUN
bibechana-58405	306	19	)	)	PUNCT
bibechana-58405	306	20	.	.	PUNCT
bibechana-58405	307	1	zeitschrift	zeitschrift	PROPN
bibechana-58405	307	2	für	für	PROPN
bibechana-58405	307	3	physik	physik	PROPN
bibechana-58405	307	4	b	b	PROPN
bibechana-58405	307	5	condensed	condense	VERB
bibechana-58405	307	6	matter	matter	NOUN
bibechana-58405	307	7	,	,	PUNCT
bibechana-58405	307	8	75:167–171	75:167–171	PROPN
bibechana-58405	307	9	,	,	PUNCT
bibechana-58405	307	10	1989	1989	NUM
bibechana-58405	307	11	.	.	PUNCT
bibechana-58405	308	1	[	[	X
bibechana-58405	308	2	39	39	NUM
bibechana-58405	308	3	]	]	PUNCT
bibechana-58405	308	4	s.	s.	PROPN
bibechana-58405	308	5	öğüt	öğüt	PROPN
bibechana-58405	308	6	and	and	CCONJ
bibechana-58405	308	7	k.	k.	PROPN
bibechana-58405	308	8	m.	m.	PROPN
bibechana-58405	308	9	rabe	rabe	PROPN
bibechana-58405	308	10	.	.	PUNCT
bibechana-58405	309	1	band	band	NOUN
bibechana-58405	309	2	gap	gap	NOUN
bibechana-58405	309	3	and	and	CCONJ
bibechana-58405	309	4	stability	stability	NOUN
bibechana-58405	309	5	in	in	ADP
bibechana-58405	309	6	the	the	DET
bibechana-58405	309	7	ternary	ternary	ADJ
bibechana-58405	309	8	intermetallic	intermetallic	NOUN
bibechana-58405	309	9	compounds	compound	VERB
bibechana-58405	309	10	nisnm	nisnm	PROPN
bibechana-58405	309	11	(	(	PUNCT
bibechana-58405	309	12	m=	m=	X
bibechana-58405	309	13	ti	ti	PROPN
bibechana-58405	309	14	,	,	PUNCT
bibechana-58405	309	15	zr	zr	PROPN
bibechana-58405	309	16	,	,	PUNCT
bibechana-58405	309	17	hf	hf	INTJ
bibechana-58405	309	18	):	):	PUNCT
bibechana-58405	309	19	a	a	DET
bibechana-58405	309	20	first	first	ADJ
bibechana-58405	309	21	-	-	PUNCT
bibechana-58405	309	22	principles	principle	NOUN
bibechana-58405	309	23	study	study	NOUN
bibechana-58405	309	24	.	.	PUNCT
bibechana-58405	310	1	physical	physical	ADJ
bibechana-58405	310	2	review	review	PROPN
bibechana-58405	310	3	b	b	PROPN
bibechana-58405	310	4	,	,	PUNCT
bibechana-58405	310	5	51(16):10443	51(16):10443	NUM
bibechana-58405	310	6	,	,	PUNCT
bibechana-58405	310	7	1995	1995	NUM
bibechana-58405	310	8	.	.	PUNCT
bibechana-58405	311	1	[	[	X
bibechana-58405	311	2	40	40	NUM
bibechana-58405	311	3	]	]	PUNCT
bibechana-58405	311	4	j.	j.	PROPN
bibechana-58405	311	5	yang	yang	PROPN
bibechana-58405	311	6	,	,	PUNCT
bibechana-58405	311	7	h.	h.	PROPN
bibechana-58405	311	8	li	li	PROPN
bibechana-58405	311	9	,	,	PUNCT
bibechana-58405	311	10	t.	t.	PROPN
bibechana-58405	311	11	wu	wu	PROPN
bibechana-58405	311	12	,	,	PUNCT
bibechana-58405	311	13	w.	w.	PROPN
bibechana-58405	311	14	zhang	zhang	PROPN
bibechana-58405	311	15	,	,	PUNCT
bibechana-58405	311	16	l.	l.	PROPN
bibechana-58405	311	17	chen	chen	PROPN
bibechana-58405	311	18	,	,	PUNCT
bibechana-58405	311	19	and	and	CCONJ
bibechana-58405	311	20	j.	j.	PROPN
bibechana-58405	311	21	yang	yang	PROPN
bibechana-58405	311	22	.	.	PUNCT
bibechana-58405	312	1	evaluation	evaluation	NOUN
bibechana-58405	312	2	of	of	ADP
bibechana-58405	312	3	half	half	ADJ
bibechana-58405	312	4	-	-	PUNCT
bibechana-58405	312	5	heusler	heusler	NOUN
bibechana-58405	312	6	compounds	compound	NOUN
bibechana-58405	312	7	as	as	ADP
bibechana-58405	312	8	thermoelectric	thermoelectric	ADJ
bibechana-58405	312	9	materials	material	NOUN
bibechana-58405	312	10	based	base	VERB
bibechana-58405	312	11	on	on	ADP
bibechana-58405	312	12	the	the	DET
bibechana-58405	312	13	calculated	calculate	VERB
bibechana-58405	312	14	electrical	electrical	ADJ
bibechana-58405	312	15	transport	transport	NOUN
bibechana-58405	312	16	properties	property	NOUN
bibechana-58405	312	17	.	.	PUNCT
bibechana-58405	313	1	advanced	advanced	ADJ
bibechana-58405	313	2	functional	functional	ADJ
bibechana-58405	313	3	materials	material	NOUN
bibechana-58405	313	4	,	,	PUNCT
bibechana-58405	313	5	18(19):2880–2888	18(19):2880–2888	NUM
bibechana-58405	313	6	,	,	PUNCT
bibechana-58405	313	7	2008	2008	NUM
bibechana-58405	313	8	.	.	PUNCT
bibechana-58405	314	1	[	[	X
bibechana-58405	314	2	41	41	NUM
bibechana-58405	314	3	]	]	X
bibechana-58405	314	4	d.	d.	PROPN
bibechana-58405	314	5	f.	f.	PROPN
bibechana-58405	314	6	zou	zou	PROPN
bibechana-58405	314	7	,	,	PUNCT
bibechana-58405	314	8	s.	s.	PROPN
bibechana-58405	314	9	h.	h.	PROPN
bibechana-58405	314	10	xie	xie	PROPN
bibechana-58405	314	11	,	,	PUNCT
bibechana-58405	314	12	y.	y.	PROPN
bibechana-58405	314	13	y.	y.	PROPN
bibechana-58405	314	14	liu	liu	PROPN
bibechana-58405	314	15	,	,	PUNCT
bibechana-58405	314	16	j.	j.	PROPN
bibechana-58405	314	17	g.	g.	PROPN
bibechana-58405	314	18	lin	lin	PROPN
bibechana-58405	314	19	,	,	PUNCT
bibechana-58405	314	20	and	and	CCONJ
bibechana-58405	314	21	j.	j.	PROPN
bibechana-58405	314	22	y.	y.	PROPN
bibechana-58405	314	23	li	li	PROPN
bibechana-58405	314	24	.	.	PROPN
bibechana-58405	314	25	electronic	electronic	ADJ
bibechana-58405	314	26	structure	structure	NOUN
bibechana-58405	314	27	and	and	CCONJ
bibechana-58405	314	28	thermoelectric	thermoelectric	ADJ
bibechana-58405	314	29	properties	property	NOUN
bibechana-58405	314	30	of	of	ADP
bibechana-58405	314	31	half	half	ADJ
bibechana-58405	314	32	-	-	PUNCT
bibechana-58405	314	33	heusler	heusler	NOUN
bibechana-58405	314	34	zr0.5hf0.5nisn	zr0.5hf0.5nisn	PROPN
bibechana-58405	314	35	by	by	ADP
bibechana-58405	314	36	first	first	ADJ
bibechana-58405	314	37	-	-	PUNCT
bibechana-58405	314	38	principles	principle	NOUN
bibechana-58405	314	39	calculations	calculation	NOUN
bibechana-58405	314	40	.	.	PUNCT
bibechana-58405	315	1	journal	journal	NOUN
bibechana-58405	315	2	of	of	ADP
bibechana-58405	315	3	applied	applied	ADJ
bibechana-58405	315	4	physics	physic	NOUN
bibechana-58405	315	5	,	,	PUNCT
bibechana-58405	315	6	113(19	113(19	NUM
bibechana-58405	315	7	)	)	PUNCT
bibechana-58405	315	8	,	,	PUNCT
bibechana-58405	315	9	2013	2013	NUM
bibechana-58405	315	10	.	.	PUNCT
bibechana-58405	316	1	[	[	X
bibechana-58405	316	2	42	42	NUM
bibechana-58405	316	3	]	]	PUNCT
bibechana-58405	316	4	j.	j.	PROPN
bibechana-58405	316	5	zhang	zhang	PROPN
bibechana-58405	316	6	,	,	PUNCT
bibechana-58405	316	7	x.	x.	PROPN
bibechana-58405	316	8	zhang	zhang	PROPN
bibechana-58405	316	9	,	,	PUNCT
bibechana-58405	316	10	and	and	CCONJ
bibechana-58405	316	11	y.	y.	PROPN
bibechana-58405	316	12	wang	wang	PROPN
bibechana-58405	316	13	.	.	PUNCT
bibechana-58405	317	1	hf	hf	PROPN
bibechana-58405	317	2	/	/	SYM
bibechana-58405	317	3	sb	sb	PROPN
bibechana-58405	317	4	co	co	PROPN
bibechana-58405	317	5	-	-	ADJ
bibechana-58405	317	6	doping	doping	ADJ
bibechana-58405	317	7	induced	induce	VERB
bibechana-58405	317	8	high	high	ADJ
bibechana-58405	317	9	thermoelectric	thermoelectric	ADJ
bibechana-58405	317	10	performance	performance	NOUN
bibechana-58405	317	11	of	of	ADP
bibechana-58405	317	12	zrnisn	zrnisn	NOUN
bibechana-58405	317	13	:	:	PUNCT
bibechana-58405	317	14	first	first	ADJ
bibechana-58405	317	15	-	-	PUNCT
bibechana-58405	317	16	principles	principle	NOUN
bibechana-58405	317	17	calculation	calculation	NOUN
bibechana-58405	317	18	.	.	PUNCT
bibechana-58405	318	1	scientific	scientific	ADJ
bibechana-58405	318	2	reports	report	NOUN
bibechana-58405	318	3	,	,	PUNCT
bibechana-58405	318	4	7(1):14590	7(1):14590	NUM
bibechana-58405	318	5	,	,	PUNCT
bibechana-58405	318	6	2017	2017	NUM
bibechana-58405	318	7	.	.	PUNCT
bibechana-58405	319	1	[	[	X
bibechana-58405	319	2	43	43	NUM
bibechana-58405	319	3	]	]	X
bibechana-58405	319	4	w.	w.	PROPN
bibechana-58405	319	5	y.	y.	PROPN
bibechana-58405	319	6	s.	s.	PROPN
bibechana-58405	319	7	lim	lim	PROPN
bibechana-58405	319	8	,	,	PUNCT
bibechana-58405	319	9	d.	d.	PROPN
bibechana-58405	319	10	zhang	zhang	PROPN
bibechana-58405	319	11	,	,	PUNCT
bibechana-58405	319	12	s.	s.	PROPN
bibechana-58405	319	13	s.	s.	PROPN
bibechana-58405	319	14	f.	f.	PROPN
bibechana-58405	319	15	duran	duran	PROPN
bibechana-58405	319	16	,	,	PUNCT
bibechana-58405	319	17	x.	x.	PROPN
bibechana-58405	319	18	y.	y.	PROPN
bibechana-58405	319	19	tan	tan	PROPN
bibechana-58405	319	20	,	,	PUNCT
bibechana-58405	319	21	c.	c.	PROPN
bibechana-58405	319	22	k.	k.	PROPN
bibechana-58405	319	23	i.	i.	PROPN
bibechana-58405	319	24	tan	tan	PROPN
bibechana-58405	319	25	,	,	PUNCT
bibechana-58405	319	26	j.	j.	PROPN
bibechana-58405	319	27	xu	xu	PROPN
bibechana-58405	319	28	,	,	PUNCT
bibechana-58405	319	29	and	and	CCONJ
bibechana-58405	319	30	a.	a.	NOUN
bibechana-58405	319	31	suwardi	suwardi	PROPN
bibechana-58405	319	32	.	.	PUNCT
bibechana-58405	320	1	a	a	DET
bibechana-58405	320	2	systematic	systematic	ADJ
bibechana-58405	320	3	approach	approach	NOUN
bibechana-58405	320	4	for	for	ADP
bibechana-58405	320	5	semiconductor	semiconductor	NOUN
bibechana-58405	320	6	halfheusler	halfheusler	NOUN
bibechana-58405	320	7	.	.	PUNCT
bibechana-58405	321	1	frontiers	frontier	NOUN
bibechana-58405	321	2	in	in	ADP
bibechana-58405	321	3	materials	material	NOUN
bibechana-58405	321	4	,	,	PUNCT
bibechana-58405	321	5	8:745698	8:745698	NUM
bibechana-58405	321	6	,	,	PUNCT
bibechana-58405	321	7	2021	2021	NUM
bibechana-58405	321	8	.	.	PUNCT
bibechana-58405	322	1	[	[	X
bibechana-58405	322	2	44	44	NUM
bibechana-58405	322	3	]	]	PUNCT
bibechana-58405	322	4	a.	a.	PROPN
bibechana-58405	322	5	j.	j.	PROPN
bibechana-58405	322	6	hong	hong	PROPN
bibechana-58405	322	7	,	,	PUNCT
bibechana-58405	322	8	l.	l.	PROPN
bibechana-58405	322	9	li	li	PROPN
bibechana-58405	322	10	,	,	PUNCT
bibechana-58405	322	11	r.	r.	PROPN
bibechana-58405	322	12	he	he	PRON
bibechana-58405	322	13	,	,	PUNCT
bibechana-58405	322	14	j.	j.	PROPN
bibechana-58405	322	15	j.	j.	PROPN
bibechana-58405	322	16	gong	gong	PROPN
bibechana-58405	322	17	,	,	PUNCT
bibechana-58405	322	18	z.	z.	PROPN
bibechana-58405	322	19	b.	b.	PROPN
bibechana-58405	322	20	yan	yan	PROPN
bibechana-58405	322	21	,	,	PUNCT
bibechana-58405	322	22	k.	k.	PROPN
bibechana-58405	322	23	f.	f.	PROPN
bibechana-58405	322	24	wang	wang	PROPN
bibechana-58405	322	25	,	,	PUNCT
bibechana-58405	322	26	and	and	CCONJ
bibechana-58405	322	27	z.	z.	PROPN
bibechana-58405	322	28	f.	f.	PROPN
bibechana-58405	322	29	ren	ren	PROPN
bibechana-58405	322	30	.	.	PUNCT
bibechana-58405	323	1	full	full	ADJ
bibechana-58405	323	2	-	-	PUNCT
bibechana-58405	323	3	scale	scale	NOUN
bibechana-58405	323	4	computation	computation	NOUN
bibechana-58405	323	5	for	for	ADP
bibechana-58405	323	6	all	all	DET
bibechana-58405	323	7	the	the	DET
bibechana-58405	323	8	thermoelectric	thermoelectric	ADJ
bibechana-58405	323	9	property	property	NOUN
bibechana-58405	323	10	parameters	parameter	NOUN
bibechana-58405	323	11	of	of	ADP
bibechana-58405	323	12	half	half	ADJ
bibechana-58405	323	13	-	-	PUNCT
bibechana-58405	323	14	heusler	heusler	NOUN
bibechana-58405	323	15	compounds	compound	NOUN
bibechana-58405	323	16	.	.	PUNCT
bibechana-58405	324	1	scientific	scientific	ADJ
bibechana-58405	324	2	reports	report	NOUN
bibechana-58405	324	3	,	,	PUNCT
bibechana-58405	324	4	6(1):22778	6(1):22778	PROPN
bibechana-58405	324	5	,	,	PUNCT
bibechana-58405	324	6	2016	2016	NUM
bibechana-58405	324	7	.	.	PUNCT
bibechana-58405	325	1	prakash	prakash	PROPN
bibechana-58405	325	2	khatri	khatri	PROPN
bibechana-58405	325	3	and	and	CCONJ
bibechana-58405	325	4	n.	n.	PROPN
bibechana-58405	325	5	p.	p.	NOUN
bibechana-58405	325	6	adhikari/	adhikari/	NUM
bibechana-58405	325	7	bibechana	bibechana	NOUN
bibechana-58405	325	8	21	21	NUM
bibechana-58405	325	9	(	(	PUNCT
bibechana-58405	325	10	2024	2024	NUM
bibechana-58405	325	11	)	)	PUNCT
bibechana-58405	325	12	12	12	NUM
bibechana-58405	325	13	-	-	SYM
bibechana-58405	325	14	22	22	NUM
bibechana-58405	325	15	22	22	NUM
bibechana-58405	325	16	[	[	X
bibechana-58405	325	17	45	45	NUM
bibechana-58405	325	18	]	]	PUNCT
bibechana-58405	325	19	g.	g.	PROPN
bibechana-58405	325	20	a.	a.	PROPN
bibechana-58405	325	21	naydenov	naydenov	PROPN
bibechana-58405	325	22	,	,	PUNCT
bibechana-58405	325	23	p.	p.	PROPN
bibechana-58405	325	24	j.	j.	PROPN
bibechana-58405	325	25	hasnip	hasnip	PROPN
bibechana-58405	325	26	,	,	PUNCT
bibechana-58405	325	27	v.	v.	PROPN
bibechana-58405	325	28	k.	k.	PROPN
bibechana-58405	325	29	lazarov	lazarov	PROPN
bibechana-58405	325	30	,	,	PUNCT
bibechana-58405	325	31	and	and	CCONJ
bibechana-58405	325	32	m.	m.	PROPN
bibechana-58405	325	33	i.	i.	PROPN
bibechana-58405	325	34	j.	j.	PROPN
bibechana-58405	325	35	probert	probert	PROPN
bibechana-58405	325	36	.	.	PUNCT
bibechana-58405	326	1	huge	huge	ADJ
bibechana-58405	326	2	power	power	NOUN
bibechana-58405	326	3	factor	factor	NOUN
bibechana-58405	326	4	in	in	ADP
bibechana-58405	326	5	p	p	NOUN
bibechana-58405	326	6	-	-	PUNCT
bibechana-58405	326	7	type	type	NOUN
bibechana-58405	326	8	half	half	ADJ
bibechana-58405	326	9	-	-	PUNCT
bibechana-58405	326	10	heusler	heusler	NOUN
bibechana-58405	326	11	alloys	alloy	NOUN
bibechana-58405	326	12	nbfesb	nbfesb	PROPN
bibechana-58405	326	13	and	and	CCONJ
bibechana-58405	326	14	tafesb	tafesb	PROPN
bibechana-58405	326	15	.	.	PUNCT
bibechana-58405	327	1	journal	journal	PROPN
bibechana-58405	327	2	of	of	ADP
bibechana-58405	327	3	physics	physics	PROPN
bibechana-58405	327	4	:	:	PUNCT
bibechana-58405	327	5	materials	material	NOUN
bibechana-58405	327	6	,	,	PUNCT
bibechana-58405	327	7	2(3):035002	2(3):035002	NUM
bibechana-58405	327	8	,	,	PUNCT
bibechana-58405	327	9	2019	2019	NUM
bibechana-58405	327	10	.	.	PUNCT
bibechana-58405	328	1	[	[	X
bibechana-58405	328	2	46	46	NUM
bibechana-58405	328	3	]	]	X
bibechana-58405	328	4	n.	n.	PROPN
bibechana-58405	328	5	soga	soga	PROPN
bibechana-58405	328	6	and	and	CCONJ
bibechana-58405	328	7	o.	o.	PROPN
bibechana-58405	328	8	l.	l.	PROPN
bibechana-58405	328	9	anderson	anderson	PROPN
bibechana-58405	328	10	.	.	PUNCT
bibechana-58405	329	1	simplified	simplify	VERB
bibechana-58405	329	2	method	method	NOUN
bibechana-58405	329	3	for	for	ADP
bibechana-58405	329	4	calculating	calculate	VERB
bibechana-58405	329	5	elastic	elastic	ADJ
bibechana-58405	329	6	moduli	modulus	NOUN
bibechana-58405	329	7	of	of	ADP
bibechana-58405	329	8	ceramic	ceramic	ADJ
bibechana-58405	329	9	powder	powder	NOUN
bibechana-58405	329	10	from	from	ADP
bibechana-58405	329	11	compressibility	compressibility	NOUN
bibechana-58405	329	12	and	and	CCONJ
bibechana-58405	329	13	debye	debye	ADJ
bibechana-58405	329	14	temperature	temperature	NOUN
bibechana-58405	329	15	data	datum	NOUN
bibechana-58405	329	16	.	.	PUNCT
bibechana-58405	330	1	journal	journal	NOUN
bibechana-58405	330	2	of	of	ADP
bibechana-58405	330	3	the	the	DET
bibechana-58405	330	4	american	american	PROPN
bibechana-58405	330	5	ceramic	ceramic	PROPN
bibechana-58405	330	6	society	society	NOUN
bibechana-58405	330	7	,	,	PUNCT
bibechana-58405	330	8	49(6):318–322	49(6):318–322	PROPN
bibechana-58405	330	9	,	,	PUNCT
bibechana-58405	330	10	1966	1966	NUM
bibechana-58405	330	11	.	.	PUNCT
bibechana-58405	331	1	[	[	X
bibechana-58405	331	2	47	47	NUM
bibechana-58405	331	3	]	]	X
bibechana-58405	331	4	c.	c.	PROPN
bibechana-58405	331	5	malica	malica	PROPN
bibechana-58405	331	6	and	and	CCONJ
bibechana-58405	331	7	a.	a.	PROPN
bibechana-58405	331	8	dal	dal	PROPN
bibechana-58405	331	9	corso	corso	PROPN
bibechana-58405	331	10	.	.	PUNCT
bibechana-58405	332	1	quasi	quasi	ADJ
bibechana-58405	332	2	-	-	ADJ
bibechana-58405	332	3	harmonic	harmonic	ADJ
bibechana-58405	332	4	temperature	temperature	NOUN
bibechana-58405	332	5	dependent	dependent	ADJ
bibechana-58405	332	6	elastic	elastic	ADJ
bibechana-58405	332	7	constants	constant	NOUN
bibechana-58405	332	8	:	:	PUNCT
bibechana-58405	332	9	applications	application	NOUN
bibechana-58405	332	10	to	to	ADP
bibechana-58405	332	11	silicon	silicon	NOUN
bibechana-58405	332	12	,	,	PUNCT
bibechana-58405	332	13	aluminum	aluminum	NOUN
bibechana-58405	332	14	,	,	PUNCT
bibechana-58405	332	15	and	and	CCONJ
bibechana-58405	332	16	silver	silver	NOUN
bibechana-58405	332	17	.	.	PUNCT
bibechana-58405	333	1	journal	journal	PROPN
bibechana-58405	333	2	of	of	ADP
bibechana-58405	333	3	physics	physics	PROPN
bibechana-58405	333	4	:	:	PUNCT
bibechana-58405	333	5	condensed	condense	VERB
bibechana-58405	333	6	matter	matter	NOUN
bibechana-58405	333	7	,	,	PUNCT
bibechana-58405	333	8	32(31):315902	32(31):315902	NUM
bibechana-58405	333	9	,	,	PUNCT
bibechana-58405	333	10	2020	2020	NUM
bibechana-58405	333	11	.	.	PUNCT
bibechana-58405	334	1	[	[	X
bibechana-58405	334	2	48	48	NUM
bibechana-58405	334	3	]	]	PUNCT
bibechana-58405	334	4	m.	m.	NOUN
bibechana-58405	334	5	schrade	schrade	PROPN
bibechana-58405	334	6	,	,	PUNCT
bibechana-58405	334	7	k.	k.	PROPN
bibechana-58405	334	8	berland	berland	PROPN
bibechana-58405	334	9	,	,	PUNCT
bibechana-58405	334	10	s.	s.	PROPN
bibechana-58405	334	11	n.	n.	PROPN
bibechana-58405	334	12	eliassen	eliassen	PROPN
bibechana-58405	334	13	,	,	PUNCT
bibechana-58405	334	14	m.	m.	NOUN
bibechana-58405	334	15	n.	n.	PROPN
bibechana-58405	334	16	guzik	guzik	NOUN
bibechana-58405	334	17	,	,	PUNCT
bibechana-58405	334	18	c.	c.	PROPN
bibechana-58405	334	19	echevarria	echevarria	PROPN
bibechana-58405	334	20	-	-	PUNCT
bibechana-58405	334	21	bonet	bonet	PROPN
bibechana-58405	334	22	,	,	PUNCT
bibechana-58405	334	23	m.	m.	NOUN
bibechana-58405	334	24	h.	h.	PROPN
bibechana-58405	334	25	sørby	sørby	PROPN
bibechana-58405	334	26	,	,	PUNCT
bibechana-58405	334	27	and	and	CCONJ
bibechana-58405	334	28	t.	t.	PROPN
bibechana-58405	334	29	g.	g.	PROPN
bibechana-58405	334	30	finstad	finstad	PROPN
bibechana-58405	334	31	.	.	PUNCT
bibechana-58405	335	1	the	the	DET
bibechana-58405	335	2	role	role	NOUN
bibechana-58405	335	3	of	of	ADP
bibechana-58405	335	4	grain	grain	NOUN
bibechana-58405	335	5	boundary	boundary	NOUN
bibechana-58405	335	6	scattering	scattering	NOUN
bibechana-58405	335	7	in	in	ADP
bibechana-58405	335	8	reducing	reduce	VERB
bibechana-58405	335	9	the	the	DET
bibechana-58405	335	10	thermal	thermal	ADJ
bibechana-58405	335	11	conductivity	conductivity	NOUN
bibechana-58405	335	12	of	of	ADP
bibechana-58405	335	13	polycrystalline	polycrystalline	ADJ
bibechana-58405	335	14	xnisn	xnisn	PROPN
bibechana-58405	335	15	(	(	PUNCT
bibechana-58405	335	16	x=	x=	PROPN
bibechana-58405	335	17	hf	hf	PROPN
bibechana-58405	335	18	,	,	PUNCT
bibechana-58405	335	19	zr	zr	PROPN
bibechana-58405	335	20	,	,	PUNCT
bibechana-58405	335	21	ti	ti	NOUN
bibechana-58405	335	22	)	)	PUNCT
bibechana-58405	335	23	half	half	ADJ
bibechana-58405	335	24	-	-	PUNCT
bibechana-58405	335	25	heusler	heusler	NOUN
bibechana-58405	335	26	alloys	alloy	NOUN
bibechana-58405	335	27	.	.	PUNCT
bibechana-58405	336	1	scientific	scientific	ADJ
bibechana-58405	336	2	reports	report	NOUN
bibechana-58405	336	3	,	,	PUNCT
bibechana-58405	336	4	7(1):13760	7(1):13760	NOUN
bibechana-58405	336	5	,	,	PUNCT
bibechana-58405	336	6	2017	2017	NUM
bibechana-58405	336	7	.	.	PUNCT
bibechana-58405	337	1	[	[	X
bibechana-58405	337	2	49	49	NUM
bibechana-58405	337	3	]	]	X
bibechana-58405	337	4	g.	g.	PROPN
bibechana-58405	337	5	qin	qin	PROPN
bibechana-58405	337	6	,	,	PUNCT
bibechana-58405	337	7	a.	a.	PROPN
bibechana-58405	337	8	huang	huang	PROPN
bibechana-58405	337	9	,	,	PUNCT
bibechana-58405	337	10	y.	y.	PROPN
bibechana-58405	337	11	liu	liu	PROPN
bibechana-58405	337	12	,	,	PUNCT
bibechana-58405	337	13	h.	h.	PROPN
bibechana-58405	337	14	wang	wang	PROPN
bibechana-58405	337	15	,	,	PUNCT
bibechana-58405	337	16	z.	z.	PROPN
bibechana-58405	337	17	qin	qin	PROPN
bibechana-58405	337	18	,	,	PUNCT
bibechana-58405	337	19	x.	x.	PROPN
bibechana-58405	337	20	jiang	jiang	PROPN
bibechana-58405	337	21	,	,	PUNCT
bibechana-58405	337	22	and	and	CCONJ
bibechana-58405	337	23	m.	m.	PROPN
bibechana-58405	337	24	hu	hu	PROPN
bibechana-58405	337	25	.	.	PUNCT
bibechana-58405	337	26	high	high	ADJ
bibechana-58405	337	27	-	-	PUNCT
bibechana-58405	337	28	throughput	throughput	NOUN
bibechana-58405	337	29	computational	computational	ADJ
bibechana-58405	337	30	evaluation	evaluation	NOUN
bibechana-58405	337	31	of	of	ADP
bibechana-58405	337	32	lattice	lattice	PROPN
bibechana-58405	337	33	thermal	thermal	ADJ
bibechana-58405	337	34	conductivity	conductivity	NOUN
bibechana-58405	337	35	using	use	VERB
bibechana-58405	337	36	an	an	DET
bibechana-58405	337	37	optimized	optimize	VERB
bibechana-58405	337	38	slack	slack	NOUN
bibechana-58405	337	39	model	model	NOUN
bibechana-58405	337	40	.	.	PUNCT
bibechana-58405	338	1	materials	material	NOUN
bibechana-58405	338	2	advances	advance	NOUN
bibechana-58405	338	3	,	,	PUNCT
bibechana-58405	338	4	3(17):6826–6830	3(17):6826–6830	NUM
bibechana-58405	338	5	,	,	PUNCT
bibechana-58405	338	6	2022	2022	NUM
bibechana-58405	338	7	.	.	PUNCT
bibechana-58405	339	1	[	[	X
bibechana-58405	339	2	50	50	NUM
bibechana-58405	339	3	]	]	PUNCT
bibechana-58405	339	4	h.	h.	PROPN
bibechana-58405	339	5	ma	ma	PROPN
bibechana-58405	339	6	,	,	PUNCT
bibechana-58405	339	7	c.	c.	PROPN
bibechana-58405	339	8	l.	l.	PROPN
bibechana-58405	339	9	yang	yang	PROPN
bibechana-58405	339	10	,	,	PUNCT
bibechana-58405	339	11	m.	m.	PROPN
bibechana-58405	339	12	s.	s.	PROPN
bibechana-58405	339	13	wang	wang	PROPN
bibechana-58405	339	14	,	,	PUNCT
bibechana-58405	339	15	x.	x.	PROPN
bibechana-58405	339	16	g.	g.	PROPN
bibechana-58405	339	17	ma	ma	PROPN
bibechana-58405	339	18	,	,	PUNCT
bibechana-58405	339	19	and	and	CCONJ
bibechana-58405	339	20	y.	y.	PROPN
bibechana-58405	339	21	g.	g.	PROPN
bibechana-58405	339	22	yi	yi	PROPN
bibechana-58405	339	23	.	.	PUNCT
bibechana-58405	340	1	effect	effect	NOUN
bibechana-58405	340	2	of	of	ADP
bibechana-58405	340	3	m	m	PROPN
bibechana-58405	340	4	elements	element	NOUN
bibechana-58405	340	5	(	(	PUNCT
bibechana-58405	340	6	m=	m=	X
bibechana-58405	340	7	ti	ti	NOUN
bibechana-58405	340	8	,	,	PUNCT
bibechana-58405	340	9	zr	zr	PROPN
bibechana-58405	340	10	,	,	PUNCT
bibechana-58405	340	11	and	and	CCONJ
bibechana-58405	340	12	hf	hf	X
bibechana-58405	340	13	)	)	PUNCT
bibechana-58405	340	14	on	on	ADP
bibechana-58405	340	15	thermoelectric	thermoelectric	ADJ
bibechana-58405	340	16	performance	performance	NOUN
bibechana-58405	340	17	of	of	ADP
bibechana-58405	340	18	the	the	DET
bibechana-58405	340	19	halfheusler	halfheusler	NOUN
bibechana-58405	340	20	compounds	compound	VERB
bibechana-58405	340	21	mcobi	mcobi	PROPN
bibechana-58405	340	22	.	.	PUNCT
bibechana-58405	341	1	journal	journal	PROPN
bibechana-58405	341	2	of	of	ADP
bibechana-58405	341	3	physics	physics	PROPN
bibechana-58405	342	1	d	d	PROPN
bibechana-58405	342	2	:	:	PUNCT
bibechana-58405	342	3	applied	applied	ADJ
bibechana-58405	342	4	physics	physic	NOUN
bibechana-58405	342	5	,	,	PUNCT
bibechana-58405	342	6	52(25):255501	52(25):255501	NUM
bibechana-58405	342	7	,	,	PUNCT
bibechana-58405	342	8	2019	2019	NUM
bibechana-58405	342	9	.	.	PUNCT
bibechana-58405	343	1	[	[	X
bibechana-58405	343	2	51	51	NUM
bibechana-58405	343	3	]	]	X
bibechana-58405	343	4	c.	c.	PROPN
bibechana-58405	343	5	toher	toher	PROPN
bibechana-58405	343	6	,	,	PUNCT
bibechana-58405	343	7	j.	j.	PROPN
bibechana-58405	343	8	j.	j.	PROPN
bibechana-58405	343	9	plata	plata	PROPN
bibechana-58405	343	10	,	,	PUNCT
bibechana-58405	343	11	o.	o.	NOUN
bibechana-58405	343	12	levy	levy	NOUN
bibechana-58405	343	13	,	,	PUNCT
bibechana-58405	343	14	m.	m.	NOUN
bibechana-58405	343	15	de	de	PROPN
bibechana-58405	343	16	jong	jong	PROPN
bibechana-58405	343	17	,	,	PUNCT
bibechana-58405	343	18	m.	m.	PROPN
bibechana-58405	343	19	asta	asta	PROPN
bibechana-58405	343	20	,	,	PUNCT
bibechana-58405	343	21	m.	m.	PROPN
bibechana-58405	343	22	b.	b.	PROPN
bibechana-58405	343	23	nardelli	nardelli	PROPN
bibechana-58405	343	24	,	,	PUNCT
bibechana-58405	343	25	and	and	CCONJ
bibechana-58405	343	26	s.	s.	PROPN
bibechana-58405	343	27	curtarolo	curtarolo	PROPN
bibechana-58405	343	28	.	.	PUNCT
bibechana-58405	344	1	high	high	ADJ
bibechana-58405	344	2	-	-	PUNCT
bibechana-58405	344	3	throughput	throughput	NOUN
bibechana-58405	344	4	computational	computational	ADJ
bibechana-58405	344	5	screening	screening	NOUN
bibechana-58405	344	6	of	of	ADP
bibechana-58405	344	7	thermal	thermal	ADJ
bibechana-58405	344	8	conductivity	conductivity	NOUN
bibechana-58405	344	9	,	,	PUNCT
bibechana-58405	344	10	debye	debye	ADJ
bibechana-58405	344	11	temperature	temperature	NOUN
bibechana-58405	344	12	,	,	PUNCT
bibechana-58405	344	13	and	and	CCONJ
bibechana-58405	344	14	grüneisen	grüneisen	ADJ
bibechana-58405	344	15	parameter	parameter	NOUN
bibechana-58405	344	16	using	use	VERB
bibechana-58405	344	17	a	a	DET
bibechana-58405	344	18	quasiharmonic	quasiharmonic	ADJ
bibechana-58405	344	19	debye	debye	ADJ
bibechana-58405	344	20	model	model	NOUN
bibechana-58405	344	21	.	.	PUNCT
bibechana-58405	345	1	physical	physical	PROPN
bibechana-58405	345	2	review	review	PROPN
bibechana-58405	345	3	b	b	PROPN
bibechana-58405	345	4	,	,	PUNCT
bibechana-58405	345	5	90(17):174107	90(17):174107	NUM
bibechana-58405	345	6	,	,	PUNCT
bibechana-58405	345	7	2014	2014	NUM
bibechana-58405	345	8	.	.	PUNCT
bibechana-58405	346	1	introduction	introduction	NOUN
bibechana-58405	346	2	computational	computational	ADJ
bibechana-58405	346	3	details	detail	NOUN
bibechana-58405	346	4	results	result	NOUN
bibechana-58405	346	5	and	and	CCONJ
bibechana-58405	346	6	discussion	discussion	NOUN
bibechana-58405	346	7	structural	structural	ADJ
bibechana-58405	346	8	properties	property	NOUN
bibechana-58405	346	9	electronic	electronic	ADJ
bibechana-58405	346	10	and	and	CCONJ
bibechana-58405	346	11	magnetic	magnetic	ADJ
bibechana-58405	346	12	properties	property	NOUN
bibechana-58405	346	13	phonon	phonon	VERB
bibechana-58405	346	14	spectrum	spectrum	NOUN
bibechana-58405	346	15	and	and	CCONJ
bibechana-58405	346	16	dynamical	dynamical	ADJ
bibechana-58405	346	17	stability	stability	NOUN
bibechana-58405	346	18	estimation	estimation	NOUN
bibechana-58405	346	19	of	of	ADP
bibechana-58405	346	20	lattice	lattice	PROPN
bibechana-58405	346	21	thermal	thermal	ADJ
bibechana-58405	346	22	conductivity	conductivity	NOUN
bibechana-58405	346	23	conclusions	conclusion	NOUN
bibechana-58405	346	24	and	and	CCONJ
bibechana-58405	346	25	concluding	conclude	VERB
bibechana-58405	346	26	remarks	remark	NOUN