id	sid	tid	token	lemma	pos
bibechana-46397	1	1	bibechana	bibechana	PROPN
bibechana-46397	1	2	19	19	NUM
bibechana-46397	1	3	(	(	PUNCT
bibechana-46397	1	4	1	1	NUM
bibechana-46397	1	5	-	-	SYM
bibechana-46397	1	6	2	2	NUM
bibechana-46397	1	7	)	)	PUNCT
bibechana-46397	1	8	(	(	PUNCT
bibechana-46397	1	9	2022	2022	NUM
bibechana-46397	1	10	)	)	PUNCT
bibechana-46397	1	11	97	97	NUM
bibechana-46397	1	12	-	-	SYM
bibechana-46397	1	13	101	101	NUM
bibechana-46397	1	14	97	97	NUM
bibechana-46397	1	15	structural	structural	ADJ
bibechana-46397	1	16	and	and	CCONJ
bibechana-46397	1	17	electronic	electronic	ADJ
bibechana-46397	1	18	properties	property	NOUN
bibechana-46397	1	19	of	of	ADP
bibechana-46397	1	20	intercalated	intercalated	ADJ
bibechana-46397	1	21	transition	transition	NOUN
bibechana-46397	1	22	metal	metal	NOUN
bibechana-46397	1	23	dichalcogenides	dichalcogenide	NOUN
bibechana-46397	1	24	compounds	compound	VERB
bibechana-46397	1	25	vandana	vandana	PROPN
bibechana-46397	1	26	b.	b.	PROPN
bibechana-46397	1	27	parmar	parmar	PROPN
bibechana-46397	1	28	*	*	PROPN
bibechana-46397	1	29	,	,	PUNCT
bibechana-46397	1	30	aditya	aditya	PROPN
bibechana-46397	1	31	m.	m.	PROPN
bibechana-46397	1	32	vora+	vora+	PROPN
bibechana-46397	1	33	department	department	PROPN
bibechana-46397	1	34	of	of	ADP
bibechana-46397	1	35	physics	physics	PROPN
bibechana-46397	1	36	,	,	PUNCT
bibechana-46397	1	37	university	university	NOUN
bibechana-46397	1	38	school	school	NOUN
bibechana-46397	1	39	of	of	ADP
bibechana-46397	1	40	sciences	sciences	PROPN
bibechana-46397	1	41	,	,	PUNCT
bibechana-46397	1	42	gujarat	gujarat	PROPN
bibechana-46397	1	43	university	university	NOUN
bibechana-46397	1	44	,	,	PUNCT
bibechana-46397	1	45	navrangpura	navrangpura	PROPN
bibechana-46397	1	46	,	,	PUNCT
bibechana-46397	1	47	ahmedabad	ahmedabad	PROPN
bibechana-46397	1	48	380	380	NUM
bibechana-46397	1	49	009	009	NUM
bibechana-46397	1	50	,	,	PUNCT
bibechana-46397	1	51	gujarat	gujarat	NOUN
bibechana-46397	1	52	,	,	PUNCT
bibechana-46397	1	53	india	india	PROPN
bibechana-46397	1	54	email	email	NOUN
bibechana-46397	1	55	:	:	PUNCT
bibechana-46397	1	56	*	*	PUNCT
bibechana-46397	1	57	vandanaparmar3996@gmail.com	vandanaparmar3996@gmail.com	X
bibechana-46397	2	1	+	+	PUNCT
bibechana-46397	2	2	voraam@gmail.com	voraam@gmail.com	PROPN
bibechana-46397	2	3	article	article	NOUN
bibechana-46397	2	4	information	information	NOUN
bibechana-46397	2	5	:	:	PUNCT
bibechana-46397	2	6	received	receive	VERB
bibechana-46397	2	7	:	:	PUNCT
bibechana-46397	2	8	december	december	PROPN
bibechana-46397	2	9	31	31	NUM
bibechana-46397	2	10	,	,	PUNCT
bibechana-46397	2	11	2021	2021	NUM
bibechana-46397	2	12	accepted	accept	VERB
bibechana-46397	2	13	:	:	PUNCT
bibechana-46397	2	14	january	january	PROPN
bibechana-46397	2	15	30	30	NUM
bibechana-46397	2	16	,	,	PUNCT
bibechana-46397	2	17	2022	2022	NUM
bibechana-46397	2	18	keywords	keyword	NOUN
bibechana-46397	2	19	:	:	PUNCT
bibechana-46397	2	20	density	density	NOUN
bibechana-46397	2	21	functional	functional	ADJ
bibechana-46397	2	22	theory	theory	NOUN
bibechana-46397	2	23	(	(	PUNCT
bibechana-46397	2	24	dft	dft	NOUN
bibechana-46397	2	25	)	)	PUNCT
bibechana-46397	2	26	generalized	generalized	ADJ
bibechana-46397	2	27	gradient	gradient	NOUN
bibechana-46397	2	28	approximation	approximation	NOUN
bibechana-46397	2	29	(	(	PUNCT
bibechana-46397	2	30	gga	gga	NOUN
bibechana-46397	2	31	)	)	PUNCT
bibechana-46397	2	32	quantum	quantum	NOUN
bibechana-46397	2	33	espresso	espresso	NOUN
bibechana-46397	2	34	code	code	NOUN
bibechana-46397	2	35	intercalated	intercalate	VERB
bibechana-46397	2	36	compound	compound	NOUN
bibechana-46397	2	37	abstract	abstract	NOUN
bibechana-46397	2	38	the	the	DET
bibechana-46397	2	39	structural	structural	ADJ
bibechana-46397	2	40	and	and	CCONJ
bibechana-46397	2	41	electronic	electronic	ADJ
bibechana-46397	2	42	properties	property	NOUN
bibechana-46397	2	43	of	of	ADP
bibechana-46397	2	44	transition	transition	NOUN
bibechana-46397	2	45	metal	metal	NOUN
bibechana-46397	2	46	dichalcogenides	dichalcogenide	NOUN
bibechana-46397	2	47	compound	compound	VERB
bibechana-46397	2	48	(	(	PUNCT
bibechana-46397	2	49	tmdc	tmdc	ADJ
bibechana-46397	2	50	)	)	PUNCT
bibechana-46397	2	51	tis2	tis2	PROPN
bibechana-46397	2	52	and	and	CCONJ
bibechana-46397	2	53	its	its	PRON
bibechana-46397	2	54	intercalated	intercalated	ADJ
bibechana-46397	2	55	compound	compound	NOUN
bibechana-46397	2	56	like	like	ADP
bibechana-46397	2	57	fetis2	fetis2	NOUN
bibechana-46397	2	58	are	be	AUX
bibechana-46397	2	59	reported	report	VERB
bibechana-46397	2	60	in	in	ADP
bibechana-46397	2	61	the	the	DET
bibechana-46397	2	62	present	present	ADJ
bibechana-46397	2	63	work	work	NOUN
bibechana-46397	2	64	using	use	VERB
bibechana-46397	2	65	density	density	NOUN
bibechana-46397	2	66	functional	functional	ADJ
bibechana-46397	2	67	theory	theory	NOUN
bibechana-46397	2	68	(	(	PUNCT
bibechana-46397	2	69	dft	dft	PROPN
bibechana-46397	2	70	)	)	PUNCT
bibechana-46397	2	71	.	.	PUNCT
bibechana-46397	3	1	the	the	DET
bibechana-46397	3	2	generalized	generalize	VERB
bibechana-46397	3	3	gradient	gradient	NOUN
bibechana-46397	3	4	approximation	approximation	NOUN
bibechana-46397	3	5	(	(	PUNCT
bibechana-46397	3	6	gga	gga	PROPN
bibechana-46397	3	7	)	)	PUNCT
bibechana-46397	3	8	with	with	ADP
bibechana-46397	3	9	ultra	ultra	ADJ
bibechana-46397	3	10	-	-	ADJ
bibechana-46397	3	11	soft	soft	ADJ
bibechana-46397	3	12	pseudopotential	pseudopotential	NOUN
bibechana-46397	3	13	are	be	AUX
bibechana-46397	3	14	used	use	VERB
bibechana-46397	3	15	under	under	ADP
bibechana-46397	3	16	quantum	quantum	ADJ
bibechana-46397	3	17	espresso	espresso	NOUN
bibechana-46397	3	18	code	code	NOUN
bibechana-46397	3	19	.	.	PUNCT
bibechana-46397	4	1	from	from	ADP
bibechana-46397	4	2	the	the	DET
bibechana-46397	4	3	theoretical	theoretical	ADJ
bibechana-46397	4	4	data	datum	NOUN
bibechana-46397	4	5	,	,	PUNCT
bibechana-46397	4	6	it	it	PRON
bibechana-46397	4	7	is	be	AUX
bibechana-46397	4	8	concluded	conclude	VERB
bibechana-46397	4	9	that	that	SCONJ
bibechana-46397	4	10	,	,	PUNCT
bibechana-46397	4	11	the	the	DET
bibechana-46397	4	12	energy	energy	NOUN
bibechana-46397	4	13	band	band	NOUN
bibechana-46397	4	14	structure	structure	NOUN
bibechana-46397	4	15	of	of	ADP
bibechana-46397	4	16	the	the	DET
bibechana-46397	4	17	tis2	tis2	PROPN
bibechana-46397	4	18	material	material	NOUN
bibechana-46397	4	19	has	have	AUX
bibechana-46397	4	20	been	be	AUX
bibechana-46397	4	21	a	a	DET
bibechana-46397	4	22	small	small	ADJ
bibechana-46397	4	23	indirect	indirect	ADJ
bibechana-46397	4	24	band	band	NOUN
bibechana-46397	4	25	gap	gap	NOUN
bibechana-46397	4	26	and	and	CCONJ
bibechana-46397	4	27	possess	possess	VERB
bibechana-46397	4	28	a	a	DET
bibechana-46397	4	29	semiconductor	semiconductor	NOUN
bibechana-46397	4	30	characteristic	characteristic	NOUN
bibechana-46397	4	31	,	,	PUNCT
bibechana-46397	4	32	while	while	SCONJ
bibechana-46397	4	33	the	the	DET
bibechana-46397	4	34	doped	dope	VERB
bibechana-46397	4	35	intercalated	intercalated	ADJ
bibechana-46397	4	36	compound	compound	NOUN
bibechana-46397	4	37	like	like	ADP
bibechana-46397	4	38	fetis2	fetis2	PROPN
bibechana-46397	4	39	,	,	PUNCT
bibechana-46397	4	40	the	the	DET
bibechana-46397	4	41	energy	energy	NOUN
bibechana-46397	4	42	bands	band	NOUN
bibechana-46397	4	43	are	be	AUX
bibechana-46397	4	44	overlapped	overlap	VERB
bibechana-46397	4	45	in	in	ADP
bibechana-46397	4	46	the	the	DET
bibechana-46397	4	47	fermi	fermi	NOUN
bibechana-46397	4	48	region	region	NOUN
bibechana-46397	4	49	,	,	PUNCT
bibechana-46397	4	50	which	which	PRON
bibechana-46397	4	51	possess	possess	VERB
bibechana-46397	4	52	metallic	metallic	ADJ
bibechana-46397	4	53	characteristics	characteristic	NOUN
bibechana-46397	4	54	.	.	PUNCT
bibechana-46397	5	1	also	also	ADV
bibechana-46397	5	2	,	,	PUNCT
bibechana-46397	5	3	fetis2	fetis2	ADJ
bibechana-46397	5	4	is	be	AUX
bibechana-46397	5	5	a	a	DET
bibechana-46397	5	6	ferromagnetic	ferromagnetic	ADJ
bibechana-46397	5	7	material	material	NOUN
bibechana-46397	5	8	with	with	ADP
bibechana-46397	5	9	spin	spin	NOUN
bibechana-46397	5	10	up	up	ADP
bibechana-46397	5	11	and	and	CCONJ
bibechana-46397	5	12	spin	spin	VERB
bibechana-46397	5	13	down	down	ADP
bibechana-46397	5	14	nature	nature	NOUN
bibechana-46397	5	15	observed	observe	VERB
bibechana-46397	5	16	from	from	ADP
bibechana-46397	5	17	the	the	DET
bibechana-46397	5	18	band	band	NOUN
bibechana-46397	5	19	structure	structure	NOUN
bibechana-46397	5	20	data	datum	NOUN
bibechana-46397	5	21	.	.	PUNCT
bibechana-46397	6	1	doi	doi	NOUN
bibechana-46397	6	2	:	:	PUNCT
bibechana-46397	6	3	https://doi.org/10.3126/bibechana.v19i1-2.46397	https://doi.org/10.3126/bibechana.v19i1-2.46397	NOUN
bibechana-46397	6	4	this	this	DET
bibechana-46397	6	5	work	work	NOUN
bibechana-46397	6	6	is	be	AUX
bibechana-46397	6	7	licensed	license	VERB
bibechana-46397	6	8	under	under	ADP
bibechana-46397	6	9	the	the	DET
bibechana-46397	6	10	creative	creative	ADJ
bibechana-46397	6	11	commons	common	NOUN
bibechana-46397	6	12	cc	cc	ADP
bibechana-46397	6	13	by	by	ADP
bibechana-46397	6	14	-	-	PUNCT
bibechana-46397	6	15	nc	nc	NOUN
bibechana-46397	6	16	license	license	NOUN
bibechana-46397	6	17	.	.	PUNCT
bibechana-46397	7	1	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	DET
bibechana-46397	7	2	1	1	NUM
bibechana-46397	7	3	.	.	PUNCT
bibechana-46397	7	4	introduction	introduction	NOUN
bibechana-46397	7	5	studies	study	NOUN
bibechana-46397	7	6	of	of	ADP
bibechana-46397	7	7	transition	transition	NOUN
bibechana-46397	7	8	metal	metal	NOUN
bibechana-46397	7	9	dichalcogenides	dichalcogenide	NOUN
bibechana-46397	7	10	compound	compound	VERB
bibechana-46397	7	11	(	(	PUNCT
bibechana-46397	7	12	tmdc	tmdc	ADJ
bibechana-46397	7	13	)	)	PUNCT
bibechana-46397	7	14	have	have	AUX
bibechana-46397	7	15	shown	show	VERB
bibechana-46397	7	16	considerable	considerable	ADJ
bibechana-46397	7	17	attention	attention	NOUN
bibechana-46397	7	18	during	during	ADP
bibechana-46397	7	19	last	last	ADJ
bibechana-46397	7	20	many	many	ADJ
bibechana-46397	7	21	years	year	NOUN
bibechana-46397	7	22	.	.	PUNCT
bibechana-46397	8	1	layered	layered	ADJ
bibechana-46397	8	2	transition	transition	NOUN
bibechana-46397	8	3	metal	metal	NOUN
bibechana-46397	8	4	dichalcogenides	dichalcogenide	NOUN
bibechana-46397	8	5	(	(	PUNCT
bibechana-46397	8	6	ltmcds	ltmcds	PROPN
bibechana-46397	8	7	)	)	PUNCT
bibechana-46397	8	8	have	have	VERB
bibechana-46397	8	9	applications	application	NOUN
bibechana-46397	8	10	in	in	ADP
bibechana-46397	8	11	various	various	ADJ
bibechana-46397	8	12	areas	area	NOUN
bibechana-46397	8	13	including	include	VERB
bibechana-46397	8	14	lubrication	lubrication	NOUN
bibechana-46397	8	15	,	,	PUNCT
bibechana-46397	8	16	catalysis	catalysis	NOUN
bibechana-46397	8	17	,	,	PUNCT
bibechana-46397	8	18	photovoltaics	photovoltaic	NOUN
bibechana-46397	8	19	,	,	PUNCT
bibechana-46397	8	20	supercapacitors	supercapacitor	NOUN
bibechana-46397	8	21	,	,	PUNCT
bibechana-46397	8	22	and	and	CCONJ
bibechana-46397	8	23	rechargeable	rechargeable	ADJ
bibechana-46397	8	24	battery	battery	NOUN
bibechana-46397	8	25	systems	system	NOUN
bibechana-46397	9	1	[	[	X
bibechana-46397	9	2	1	1	NUM
bibechana-46397	9	3	]	]	PUNCT
bibechana-46397	9	4	.	.	PUNCT
bibechana-46397	10	1	hence	hence	ADV
bibechana-46397	10	2	,	,	PUNCT
bibechana-46397	10	3	the	the	DET
bibechana-46397	10	4	dimensionality	dimensionality	NOUN
bibechana-46397	10	5	of	of	ADP
bibechana-46397	10	6	tmdc	tmdc	NOUN
bibechana-46397	10	7	are	be	AUX
bibechana-46397	10	8	also	also	ADV
bibechana-46397	10	9	plays	play	VERB
bibechana-46397	10	10	a	a	DET
bibechana-46397	10	11	significant	significant	ADJ
bibechana-46397	10	12	role	role	NOUN
bibechana-46397	10	13	in	in	ADP
bibechana-46397	10	14	their	their	PRON
bibechana-46397	10	15	basic	basic	ADJ
bibechana-46397	10	16	physical	physical	ADJ
bibechana-46397	10	17	properties	property	NOUN
bibechana-46397	10	18	[	[	X
bibechana-46397	10	19	1	1	NUM
bibechana-46397	10	20	]	]	PUNCT
bibechana-46397	10	21	.	.	PUNCT
bibechana-46397	11	1	the	the	DET
bibechana-46397	11	2	study	study	NOUN
bibechana-46397	11	3	of	of	ADP
bibechana-46397	11	4	structural	structural	ADJ
bibechana-46397	11	5	and	and	CCONJ
bibechana-46397	11	6	electronic	electronic	ADJ
bibechana-46397	11	7	properties	property	NOUN
bibechana-46397	11	8	of	of	ADP
bibechana-46397	11	9	material	material	NOUN
bibechana-46397	11	10	gives	give	VERB
bibechana-46397	11	11	a	a	DET
bibechana-46397	11	12	basic	basic	ADJ
bibechana-46397	11	13	understanding	understanding	NOUN
bibechana-46397	11	14	of	of	ADP
bibechana-46397	11	15	the	the	DET
bibechana-46397	11	16	materials	material	NOUN
bibechana-46397	11	17	[	[	X
bibechana-46397	11	18	2	2	NUM
bibechana-46397	11	19	]	]	PUNCT
bibechana-46397	11	20	.	.	PUNCT
bibechana-46397	12	1	fang	fang	PROPN
bibechana-46397	12	2	et	et	PROPN
bibechana-46397	12	3	al	al	PROPN
bibechana-46397	12	4	.	.	PUNCT
bibechana-46397	13	1	[	[	X
bibechana-46397	13	2	3	3	X
bibechana-46397	13	3	]	]	PUNCT
bibechana-46397	13	4	have	have	AUX
bibechana-46397	13	5	reported	report	VERB
bibechana-46397	13	6	ab	ab	PROPN
bibechana-46397	13	7	initio	initio	PROPN
bibechana-46397	13	8	band	band	NOUN
bibechana-46397	13	9	-	-	PUNCT
bibechana-46397	13	10	structure	structure	NOUN
bibechana-46397	13	11	based	base	VERB
bibechana-46397	13	12	calculations	calculation	NOUN
bibechana-46397	13	13	for	for	ADP
bibechana-46397	13	14	bulk	bulk	ADJ
bibechana-46397	13	15	,	,	PUNCT
bibechana-46397	13	16	single	single	ADJ
bibechana-46397	13	17	slab	slab	NOUN
bibechana-46397	13	18	,	,	PUNCT
bibechana-46397	13	19	and	and	CCONJ
bibechana-46397	13	20	thin	thin	ADJ
bibechana-46397	13	21	films	film	NOUN
bibechana-46397	13	22	of	of	ADP
bibechana-46397	13	23	tix2	tix2	PROPN
bibechana-46397	13	24	(	(	PUNCT
bibechana-46397	13	25	x	x	X
bibechana-46397	13	26	=	=	SYM
bibechana-46397	13	27	s	s	X
bibechana-46397	13	28	,	,	PUNCT
bibechana-46397	13	29	se	se	ADV
bibechana-46397	13	30	)	)	PUNCT
bibechana-46397	13	31	using	use	VERB
bibechana-46397	13	32	the	the	DET
bibechana-46397	13	33	localized	localize	VERB
bibechana-46397	13	34	spherical	spherical	ADJ
bibechana-46397	13	35	wave	wave	NOUN
bibechana-46397	13	36	method	method	NOUN
bibechana-46397	13	37	.	.	PUNCT
bibechana-46397	14	1	the	the	DET
bibechana-46397	14	2	density	density	NOUN
bibechana-46397	14	3	functional	functional	ADJ
bibechana-46397	14	4	theory	theory	NOUN
bibechana-46397	14	5	(	(	PUNCT
bibechana-46397	14	6	dft	dft	NOUN
bibechana-46397	14	7	)	)	PUNCT
bibechana-46397	14	8	based	base	VERB
bibechana-46397	14	9	formulation	formulation	NOUN
bibechana-46397	14	10	are	be	AUX
bibechana-46397	14	11	found	find	VERB
bibechana-46397	14	12	more	more	ADV
bibechana-46397	14	13	useful	useful	ADJ
bibechana-46397	14	14	for	for	ADP
bibechana-46397	14	15	computing	compute	VERB
bibechana-46397	14	16	the	the	DET
bibechana-46397	14	17	structural	structural	ADJ
bibechana-46397	14	18	and	and	CCONJ
bibechana-46397	14	19	electronic	electronic	ADJ
bibechana-46397	14	20	properties	property	NOUN
bibechana-46397	14	21	of	of	ADP
bibechana-46397	14	22	materials	material	NOUN
bibechana-46397	14	23	[	[	X
bibechana-46397	14	24	4	4	NUM
bibechana-46397	14	25	-	-	SYM
bibechana-46397	14	26	11	11	NUM
bibechana-46397	14	27	]	]	PUNCT
bibechana-46397	14	28	.	.	PUNCT
bibechana-46397	15	1	the	the	DET
bibechana-46397	15	2	guest	guest	NOUN
bibechana-46397	15	3	3d	3d	PROPN
bibechana-46397	15	4	atom	atom	NOUN
bibechana-46397	15	5	have	have	AUX
bibechana-46397	15	6	transferred	transfer	VERB
bibechana-46397	15	7	the	the	DET
bibechana-46397	15	8	charge	charge	NOUN
bibechana-46397	15	9	from	from	ADP
bibechana-46397	15	10	transition	transition	NOUN
bibechana-46397	15	11	metal	metal	NOUN
bibechana-46397	15	12	fe	fe	NOUN
bibechana-46397	15	13	-	-	NOUN
bibechana-46397	15	14	atom	atom	NOUN
bibechana-46397	15	15	to	to	ADP
bibechana-46397	15	16	the	the	DET
bibechana-46397	15	17	self	self	NOUN
bibechana-46397	15	18	bibechana	bibechana	PROPN
bibechana-46397	15	19	issn	issn	VERB
bibechana-46397	15	20	2091	2091	NUM
bibechana-46397	15	21	-	-	SYM
bibechana-46397	15	22	0762	0762	NUM
bibechana-46397	15	23	(	(	PUNCT
bibechana-46397	15	24	print	print	NOUN
bibechana-46397	15	25	)	)	PUNCT
bibechana-46397	15	26	,	,	PUNCT
bibechana-46397	15	27	2382	2382	NUM
bibechana-46397	15	28	-	-	SYM
bibechana-46397	15	29	5340	5340	NUM
bibechana-46397	15	30	(	(	PUNCT
bibechana-46397	15	31	online	online	ADJ
bibechana-46397	15	32	)	)	PUNCT
bibechana-46397	15	33	journal	journal	NOUN
bibechana-46397	15	34	homepage	homepage	NOUN
bibechana-46397	15	35	:	:	PUNCT
bibechana-46397	15	36	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-46397	15	37	publisher	publisher	NOUN
bibechana-46397	15	38	:	:	PUNCT
bibechana-46397	15	39	department	department	NOUN
bibechana-46397	15	40	of	of	ADP
bibechana-46397	15	41	physics	physics	PROPN
bibechana-46397	15	42	,	,	PUNCT
bibechana-46397	16	1	mahendra	mahendra	PROPN
bibechana-46397	16	2	morang	morang	PROPN
bibechana-46397	16	3	a.m.	a.m.	PROPN
bibechana-46397	17	1	campus	campus	PROPN
bibechana-46397	17	2	,	,	PUNCT
bibechana-46397	17	3	tu	tu	PROPN
bibechana-46397	17	4	,	,	PUNCT
bibechana-46397	17	5	biratnagar	biratnagar	NOUN
bibechana-46397	17	6	,	,	PUNCT
bibechana-46397	17	7	nepal	nepal	ADJ
bibechana-46397	17	8	mailto:vandanaparmar3996@gmail.com	mailto:vandanaparmar3996@gmail.com	PROPN
bibechana-46397	17	9	mailto:vandanaparmar3996@gmail.com	mailto:vandanaparmar3996@gmail.com	PROPN
bibechana-46397	17	10	mailto:%2bvoraam@gmail.com	mailto:%2bvoraam@gmail.com	NOUN
bibechana-46397	17	11	https://doi.org/10.3126/bibechana.v19i1-2.46397	https://doi.org/10.3126/bibechana.v19i1-2.46397	PROPN
bibechana-46397	17	12	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PRON
bibechana-46397	17	13	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	ADJ
bibechana-46397	17	14	bibechana	bibechana	NOUN
bibechana-46397	17	15	19	19	NUM
bibechana-46397	17	16	(	(	PUNCT
bibechana-46397	17	17	1	1	NUM
bibechana-46397	17	18	-	-	SYM
bibechana-46397	17	19	2	2	NUM
bibechana-46397	17	20	)	)	PUNCT
bibechana-46397	17	21	(	(	PUNCT
bibechana-46397	17	22	2022	2022	NUM
bibechana-46397	17	23	)	)	PUNCT
bibechana-46397	17	24	97	97	NUM
bibechana-46397	17	25	-	-	SYM
bibechana-46397	17	26	101	101	NUM
bibechana-46397	17	27	98	98	NUM
bibechana-46397	17	28	intercalated	intercalated	ADJ
bibechana-46397	17	29	compound	compound	NOUN
bibechana-46397	17	30	like	like	ADP
bibechana-46397	17	31	tis2	tis2	PROPN
bibechana-46397	17	32	reported	report	VERB
bibechana-46397	17	33	by	by	ADP
bibechana-46397	17	34	friend	friend	NOUN
bibechana-46397	17	35	and	and	CCONJ
bibechana-46397	17	36	yoffe	yoffe	NOUN
bibechana-46397	18	1	[	[	X
bibechana-46397	18	2	12	12	NUM
bibechana-46397	18	3	]	]	PUNCT
bibechana-46397	18	4	.	.	PUNCT
bibechana-46397	19	1	the	the	DET
bibechana-46397	19	2	generalized	generalized	ADJ
bibechana-46397	19	3	chemical	chemical	NOUN
bibechana-46397	19	4	formula	formula	NOUN
bibechana-46397	19	5	for	for	ADP
bibechana-46397	19	6	tmdcs	tmdc	NOUN
bibechana-46397	19	7	is	be	AUX
bibechana-46397	19	8	mx2	mx2	NOUN
bibechana-46397	19	9	,	,	PUNCT
bibechana-46397	19	10	where	where	SCONJ
bibechana-46397	19	11	m	m	PROPN
bibechana-46397	19	12	represents	represent	VERB
bibechana-46397	19	13	the	the	DET
bibechana-46397	19	14	transition	transition	NOUN
bibechana-46397	19	15	metal	metal	NOUN
bibechana-46397	19	16	of	of	ADP
bibechana-46397	19	17	group	group	NOUN
bibechana-46397	19	18	iv	iv	ADP
bibechana-46397	19	19	,	,	PUNCT
bibechana-46397	19	20	v	v	NOUN
bibechana-46397	19	21	and	and	CCONJ
bibechana-46397	19	22	vi	vi	NOUN
bibechana-46397	19	23	of	of	ADP
bibechana-46397	19	24	the	the	DET
bibechana-46397	19	25	periodic	periodic	ADJ
bibechana-46397	19	26	table	table	NOUN
bibechana-46397	19	27	and	and	CCONJ
bibechana-46397	19	28	x	x	NOUN
bibechana-46397	19	29	is	be	AUX
bibechana-46397	19	30	the	the	DET
bibechana-46397	19	31	chalcogens	chalcogen	NOUN
bibechana-46397	19	32	element	element	NOUN
bibechana-46397	19	33	.	.	PUNCT
bibechana-46397	20	1	therefore	therefore	ADV
bibechana-46397	20	2	,	,	PUNCT
bibechana-46397	20	3	the	the	DET
bibechana-46397	20	4	tmdcs	tmdc	NOUN
bibechana-46397	20	5	have	have	AUX
bibechana-46397	20	6	shown	show	VERB
bibechana-46397	20	7	more	more	ADJ
bibechana-46397	20	8	than	than	ADP
bibechana-46397	20	9	40	40	NUM
bibechana-46397	20	10	different	different	ADJ
bibechana-46397	20	11	combinations	combination	NOUN
bibechana-46397	20	12	and	and	CCONJ
bibechana-46397	20	13	have	have	AUX
bibechana-46397	20	14	shown	show	VERB
bibechana-46397	20	15	distinctive	distinctive	ADJ
bibechana-46397	20	16	properties	property	NOUN
bibechana-46397	20	17	too	too	ADV
bibechana-46397	20	18	.	.	PUNCT
bibechana-46397	21	1	generally	generally	ADV
bibechana-46397	21	2	,	,	PUNCT
bibechana-46397	21	3	in	in	ADP
bibechana-46397	21	4	tis2	tis2	PROPN
bibechana-46397	21	5	,	,	PUNCT
bibechana-46397	21	6	the	the	DET
bibechana-46397	21	7	layer	layer	NOUN
bibechana-46397	21	8	of	of	ADP
bibechana-46397	21	9	ti	ti	NOUN
bibechana-46397	21	10	atom	atom	NOUN
bibechana-46397	21	11	is	be	AUX
bibechana-46397	21	12	sandwiched	sandwich	VERB
bibechana-46397	21	13	between	between	ADP
bibechana-46397	21	14	two	two	NUM
bibechana-46397	21	15	sulphur	sulphur	NOUN
bibechana-46397	21	16	layers	layer	NOUN
bibechana-46397	21	17	.	.	PUNCT
bibechana-46397	22	1	both	both	DET
bibechana-46397	22	2	atoms	atom	NOUN
bibechana-46397	22	3	are	be	AUX
bibechana-46397	22	4	attracted	attract	VERB
bibechana-46397	22	5	with	with	ADP
bibechana-46397	22	6	very	very	ADV
bibechana-46397	22	7	weak	weak	ADJ
bibechana-46397	22	8	van	van	PROPN
bibechana-46397	22	9	der	der	PROPN
bibechana-46397	22	10	wall	wall	PROPN
bibechana-46397	22	11	’s	’s	PART
bibechana-46397	22	12	force	force	NOUN
bibechana-46397	22	13	and	and	CCONJ
bibechana-46397	22	14	having	have	VERB
bibechana-46397	22	15	a	a	DET
bibechana-46397	22	16	very	very	ADV
bibechana-46397	22	17	small	small	ADJ
bibechana-46397	22	18	indirect	indirect	ADJ
bibechana-46397	22	19	bandgap	bandgap	NOUN
bibechana-46397	22	20	between	between	ADP
bibechana-46397	22	21	them	they	PRON
bibechana-46397	22	22	.	.	PUNCT
bibechana-46397	23	1	because	because	SCONJ
bibechana-46397	23	2	of	of	ADP
bibechana-46397	23	3	this	this	PRON
bibechana-46397	23	4	,	,	PUNCT
bibechana-46397	23	5	the	the	DET
bibechana-46397	23	6	guest	guest	PROPN
bibechana-46397	23	7	fe	fe	X
bibechana-46397	23	8	atom	atom	NOUN
bibechana-46397	23	9	can	can	AUX
bibechana-46397	23	10	be	be	AUX
bibechana-46397	23	11	easily	easily	ADV
bibechana-46397	23	12	intercalated	intercalate	VERB
bibechana-46397	23	13	into	into	ADP
bibechana-46397	23	14	pure	pure	ADJ
bibechana-46397	23	15	tis2	tis2	PROPN
bibechana-46397	23	16	compound	compound	NOUN
bibechana-46397	23	17	.	.	PUNCT
bibechana-46397	24	1	hence	hence	ADV
bibechana-46397	24	2	,	,	PUNCT
bibechana-46397	24	3	the	the	DET
bibechana-46397	24	4	fe	fe	PROPN
bibechana-46397	24	5	-	-	PUNCT
bibechana-46397	24	6	s	s	NOUN
bibechana-46397	24	7	bonds	bond	NOUN
bibechana-46397	24	8	are	be	AUX
bibechana-46397	24	9	much	much	ADV
bibechana-46397	24	10	stronger	strong	ADJ
bibechana-46397	24	11	than	than	ADP
bibechana-46397	24	12	the	the	DET
bibechana-46397	24	13	ti	ti	NOUN
bibechana-46397	24	14	s	s	PART
bibechana-46397	24	15	bonds	bond	NOUN
bibechana-46397	24	16	in	in	ADP
bibechana-46397	24	17	such	such	ADJ
bibechana-46397	24	18	fetis2compound	fetis2compound	NOUN
bibechana-46397	25	1	[	[	X
bibechana-46397	25	2	13	13	NUM
bibechana-46397	25	3	]	]	PUNCT
bibechana-46397	25	4	.	.	PUNCT
bibechana-46397	26	1	in	in	ADP
bibechana-46397	26	2	both	both	DET
bibechana-46397	26	3	materials	material	NOUN
bibechana-46397	26	4	,	,	PUNCT
bibechana-46397	26	5	the	the	DET
bibechana-46397	26	6	strong	strong	ADJ
bibechana-46397	26	7	hybridization	hybridization	NOUN
bibechana-46397	26	8	occurs	occur	VERB
bibechana-46397	26	9	in	in	ADP
bibechana-46397	26	10	the	the	DET
bibechana-46397	26	11	3d	3d	NUM
bibechana-46397	26	12	-	-	PUNCT
bibechana-46397	26	13	states	state	NOUN
bibechana-46397	26	14	of	of	ADP
bibechana-46397	26	15	fe	fe	PROPN
bibechana-46397	26	16	,	,	PUNCT
bibechana-46397	26	17	3d	3d	NUM
bibechana-46397	26	18	-	-	PUNCT
bibechana-46397	26	19	states	state	NOUN
bibechana-46397	26	20	of	of	ADP
bibechana-46397	26	21	ti	ti	NOUN
bibechana-46397	26	22	and	and	CCONJ
bibechana-46397	26	23	3p	3p	NUM
bibechana-46397	26	24	-	-	PUNCT
bibechana-46397	26	25	states	state	NOUN
bibechana-46397	26	26	of	of	ADP
bibechana-46397	26	27	s	s	NOUN
bibechana-46397	26	28	,	,	PUNCT
bibechana-46397	26	29	respectively	respectively	ADV
bibechana-46397	26	30	[	[	X
bibechana-46397	26	31	14	14	NUM
bibechana-46397	26	32	-	-	SYM
bibechana-46397	26	33	19	19	NUM
bibechana-46397	26	34	]	]	PUNCT
bibechana-46397	26	35	.	.	PUNCT
bibechana-46397	27	1	in	in	ADP
bibechana-46397	27	2	electronic	electronic	ADJ
bibechana-46397	27	3	property	property	NOUN
bibechana-46397	27	4	calculation	calculation	NOUN
bibechana-46397	27	5	,	,	PUNCT
bibechana-46397	27	6	the	the	DET
bibechana-46397	27	7	fetis2	fetis2	NOUN
bibechana-46397	27	8	has	have	VERB
bibechana-46397	27	9	a	a	DET
bibechana-46397	27	10	spin	spin	NOUN
bibechana-46397	27	11	polarized	polarize	VERB
bibechana-46397	27	12	fully	fully	ADV
bibechana-46397	27	13	relativistic	relativistic	ADJ
bibechana-46397	27	14	band	band	NOUN
bibechana-46397	27	15	structure	structure	NOUN
bibechana-46397	27	16	.	.	PUNCT
bibechana-46397	28	1	in	in	ADP
bibechana-46397	28	2	which	which	PRON
bibechana-46397	28	3	,	,	PUNCT
bibechana-46397	28	4	the	the	DET
bibechana-46397	28	5	energy	energy	NOUN
bibechana-46397	28	6	bands	band	NOUN
bibechana-46397	28	7	of	of	ADP
bibechana-46397	28	8	tis2	tis2	PROPN
bibechana-46397	28	9	are	be	AUX
bibechana-46397	28	10	not	not	PART
bibechana-46397	28	11	overlapped	overlap	VERB
bibechana-46397	28	12	near	near	ADP
bibechana-46397	28	13	the	the	DET
bibechana-46397	28	14	fermi	fermi	NOUN
bibechana-46397	28	15	region	region	NOUN
bibechana-46397	28	16	while	while	SCONJ
bibechana-46397	28	17	in	in	ADP
bibechana-46397	28	18	the	the	DET
bibechana-46397	28	19	case	case	NOUN
bibechana-46397	28	20	of	of	ADP
bibechana-46397	28	21	thefetis2	thefetis2	NOUN
bibechana-46397	28	22	,	,	PUNCT
bibechana-46397	28	23	they	they	PRON
bibechana-46397	28	24	are	be	AUX
bibechana-46397	28	25	overlapped	overlap	VERB
bibechana-46397	28	26	near	near	ADP
bibechana-46397	28	27	the	the	DET
bibechana-46397	28	28	fermi	fermi	NOUN
bibechana-46397	28	29	region	region	NOUN
bibechana-46397	28	30	.	.	PUNCT
bibechana-46397	29	1	according	accord	VERB
bibechana-46397	29	2	to	to	ADP
bibechana-46397	29	3	this	this	PRON
bibechana-46397	29	4	,	,	PUNCT
bibechana-46397	29	5	the	the	DET
bibechana-46397	29	6	tis2	tis2	PROPN
bibechana-46397	29	7	has	have	VERB
bibechana-46397	29	8	a	a	DET
bibechana-46397	29	9	semiconductor	semiconductor	NOUN
bibechana-46397	29	10	nature	nature	NOUN
bibechana-46397	29	11	while	while	SCONJ
bibechana-46397	29	12	fetis2	fetis2	PROPN
bibechana-46397	29	13	has	have	VERB
bibechana-46397	29	14	a	a	DET
bibechana-46397	29	15	metallic	metallic	ADJ
bibechana-46397	29	16	nature	nature	NOUN
bibechana-46397	29	17	.	.	PUNCT
bibechana-46397	30	1	2	2	X
bibechana-46397	30	2	.	.	X
bibechana-46397	30	3	computational	computational	ADJ
bibechana-46397	30	4	methodology	methodology	NOUN
bibechana-46397	30	5	all	all	DET
bibechana-46397	30	6	the	the	DET
bibechana-46397	30	7	calculations	calculation	NOUN
bibechana-46397	30	8	of	of	ADP
bibechana-46397	30	9	structural	structural	ADJ
bibechana-46397	30	10	and	and	CCONJ
bibechana-46397	30	11	electronic	electronic	ADJ
bibechana-46397	30	12	properties	property	NOUN
bibechana-46397	30	13	are	be	AUX
bibechana-46397	30	14	performed	perform	VERB
bibechana-46397	30	15	under	under	ADP
bibechana-46397	30	16	dft	dft	PROPN
bibechana-46397	30	17	environment	environment	NOUN
bibechana-46397	30	18	by	by	ADP
bibechana-46397	30	19	using	use	VERB
bibechana-46397	30	20	quantum	quantum	ADJ
bibechana-46397	30	21	espresso	espresso	NOUN
bibechana-46397	30	22	code	code	NOUN
bibechana-46397	31	1	[	[	X
bibechana-46397	31	2	20	20	NUM
bibechana-46397	31	3	]	]	PUNCT
bibechana-46397	31	4	with	with	ADP
bibechana-46397	31	5	burai	burai	NOUN
bibechana-46397	31	6	[	[	X
bibechana-46397	31	7	21	21	NUM
bibechana-46397	31	8	]	]	PUNCT
bibechana-46397	31	9	in	in	ADP
bibechana-46397	31	10	our	our	PRON
bibechana-46397	31	11	computational	computational	ADJ
bibechana-46397	31	12	laboratory	laboratory	NOUN
bibechana-46397	31	13	.	.	PUNCT
bibechana-46397	32	1	the	the	DET
bibechana-46397	32	2	structural	structural	ADJ
bibechana-46397	32	3	optimization	optimization	NOUN
bibechana-46397	32	4	and	and	CCONJ
bibechana-46397	32	5	the	the	DET
bibechana-46397	32	6	electronic	electronic	ADJ
bibechana-46397	32	7	properties	property	NOUN
bibechana-46397	32	8	such	such	ADJ
bibechana-46397	32	9	as	as	ADP
bibechana-46397	32	10	band	band	NOUN
bibechana-46397	32	11	structure	structure	NOUN
bibechana-46397	32	12	,	,	PUNCT
bibechana-46397	32	13	density	density	NOUN
bibechana-46397	32	14	of	of	ADP
bibechana-46397	32	15	states	state	NOUN
bibechana-46397	32	16	(	(	PUNCT
bibechana-46397	32	17	dos	dos	PROPN
bibechana-46397	32	18	)	)	PUNCT
bibechana-46397	32	19	,	,	PUNCT
bibechana-46397	32	20	partial	partial	ADJ
bibechana-46397	32	21	density	density	NOUN
bibechana-46397	32	22	of	of	ADP
bibechana-46397	32	23	states	state	NOUN
bibechana-46397	32	24	(	(	PUNCT
bibechana-46397	32	25	pdos	pdo	NOUN
bibechana-46397	32	26	)	)	PUNCT
bibechana-46397	32	27	and	and	CCONJ
bibechana-46397	32	28	total	total	ADJ
bibechana-46397	32	29	density	density	NOUN
bibechana-46397	32	30	of	of	ADP
bibechana-46397	32	31	states	state	NOUN
bibechana-46397	32	32	(	(	PUNCT
bibechana-46397	32	33	tdos	tdo	NOUN
bibechana-46397	32	34	)	)	PUNCT
bibechana-46397	32	35	of	of	ADP
bibechana-46397	32	36	the	the	DET
bibechana-46397	32	37	aforementioned	aforementioned	ADJ
bibechana-46397	32	38	materials	material	NOUN
bibechana-46397	32	39	are	be	AUX
bibechana-46397	32	40	reported	report	VERB
bibechana-46397	32	41	using	use	VERB
bibechana-46397	32	42	generalized	generalized	ADJ
bibechana-46397	32	43	gradient	gradient	NOUN
bibechana-46397	32	44	approximation	approximation	NOUN
bibechana-46397	32	45	(	(	PUNCT
bibechana-46397	32	46	gga	gga	PROPN
bibechana-46397	32	47	)	)	PUNCT
bibechana-46397	33	1	[	[	X
bibechana-46397	33	2	22	22	NUM
bibechana-46397	33	3	]	]	PUNCT
bibechana-46397	33	4	with	with	ADP
bibechana-46397	33	5	perdew	perdew	PROPN
bibechana-46397	33	6	–	–	PUNCT
bibechana-46397	33	7	burke	burke	NOUN
bibechana-46397	33	8	–	–	PUNCT
bibechana-46397	33	9	ernzerhof	ernzerhof	NOUN
bibechana-46397	33	10	(	(	PUNCT
bibechana-46397	33	11	pbe	pbe	PROPN
bibechana-46397	33	12	)	)	PUNCT
bibechana-46397	34	1	[	[	X
bibechana-46397	34	2	23	23	NUM
bibechana-46397	34	3	]	]	PUNCT
bibechana-46397	34	4	and	and	CCONJ
bibechana-46397	34	5	ultra	ultra	ADJ
bibechana-46397	34	6	-	-	ADJ
bibechana-46397	34	7	soft	soft	ADJ
bibechana-46397	34	8	pseudopotential	pseudopotential	NOUN
bibechana-46397	34	9	[	[	X
bibechana-46397	34	10	24	24	NUM
bibechana-46397	34	11	]	]	PUNCT
bibechana-46397	34	12	.	.	PUNCT
bibechana-46397	35	1	3	3	X
bibechana-46397	35	2	.	.	NOUN
bibechana-46397	35	3	results	result	NOUN
bibechana-46397	35	4	and	and	CCONJ
bibechana-46397	35	5	discussion	discussion	NOUN
bibechana-46397	35	6	3.1	3.1	NUM
bibechana-46397	35	7	structural	structural	ADJ
bibechana-46397	35	8	optimization	optimization	NOUN
bibechana-46397	35	9	both	both	CCONJ
bibechana-46397	35	10	the	the	DET
bibechana-46397	35	11	tis2	tis2	PROPN
bibechana-46397	35	12	and	and	CCONJ
bibechana-46397	35	13	fetis2	fetis2	ADJ
bibechana-46397	35	14	compounds	compound	NOUN
bibechana-46397	35	15	are	be	AUX
bibechana-46397	35	16	having	have	VERB
bibechana-46397	35	17	cdi2	cdi2	NOUN
bibechana-46397	35	18	-	-	PUNCT
bibechana-46397	35	19	type	type	NOUN
bibechana-46397	35	20	layer	layer	NOUN
bibechana-46397	35	21	structures	structure	NOUN
bibechana-46397	35	22	.	.	PUNCT
bibechana-46397	36	1	in	in	ADP
bibechana-46397	36	2	which	which	PRON
bibechana-46397	36	3	,	,	PUNCT
bibechana-46397	36	4	the	the	DET
bibechana-46397	36	5	layer	layer	NOUN
bibechana-46397	36	6	of	of	ADP
bibechana-46397	36	7	ti	ti	PROPN
bibechana-46397	36	8	is	be	AUX
bibechana-46397	36	9	sandwiched	sandwich	VERB
bibechana-46397	36	10	between	between	ADP
bibechana-46397	36	11	two	two	NUM
bibechana-46397	36	12	layers	layer	NOUN
bibechana-46397	36	13	of	of	ADP
bibechana-46397	36	14	sulphur	sulphur	NOUN
bibechana-46397	36	15	and	and	CCONJ
bibechana-46397	36	16	the	the	DET
bibechana-46397	36	17	unit	unit	NOUN
bibechana-46397	36	18	cell	cell	NOUN
bibechana-46397	36	19	contains	contain	VERB
bibechana-46397	36	20	four	four	NUM
bibechana-46397	36	21	atoms	atom	NOUN
bibechana-46397	36	22	.	.	PUNCT
bibechana-46397	37	1	in	in	ADP
bibechana-46397	37	2	the	the	DET
bibechana-46397	37	3	unit	unit	NOUN
bibechana-46397	37	4	cell	cell	NOUN
bibechana-46397	37	5	the	the	DET
bibechana-46397	37	6	position	position	NOUN
bibechana-46397	37	7	of	of	ADP
bibechana-46397	37	8	ti	ti	NOUN
bibechana-46397	37	9	is	be	AUX
bibechana-46397	37	10	a	a	DET
bibechana-46397	37	11	1a	1a	NOUN
bibechana-46397	37	12	and	and	CCONJ
bibechana-46397	37	13	those	those	PRON
bibechana-46397	37	14	of	of	ADP
bibechana-46397	37	15	two	two	NUM
bibechana-46397	37	16	s	s	NOUN
bibechana-46397	37	17	atoms	atom	NOUN
bibechana-46397	37	18	are	be	AUX
bibechana-46397	37	19	in	in	ADP
bibechana-46397	37	20	2d	2d	NUM
bibechana-46397	37	21	(	(	PUNCT
bibechana-46397	37	22	1/3	1/3	NUM
bibechana-46397	37	23	,	,	PUNCT
bibechana-46397	37	24	1/3,0.2501	1/3,0.2501	NUM
bibechana-46397	37	25	)	)	PUNCT
bibechana-46397	37	26	and	and	CCONJ
bibechana-46397	37	27	(	(	PUNCT
bibechana-46397	37	28	2/3,1/3,-0.2501	2/3,1/3,-0.2501	NUM
bibechana-46397	37	29	)	)	PUNCT
bibechana-46397	37	30	,	,	PUNCT
bibechana-46397	37	31	respectively	respectively	ADV
bibechana-46397	37	32	.	.	PUNCT
bibechana-46397	38	1	therefore	therefore	ADV
bibechana-46397	38	2	,	,	PUNCT
bibechana-46397	38	3	the	the	DET
bibechana-46397	38	4	construction	construction	NOUN
bibechana-46397	38	5	consists	consist	VERB
bibechana-46397	38	6	of	of	ADP
bibechana-46397	38	7	s	s	NOUN
bibechana-46397	38	8	-	-	PUNCT
bibechana-46397	38	9	ti	ti	NOUN
bibechana-46397	38	10	-	-	PUNCT
bibechana-46397	38	11	s	s	NOUN
bibechana-46397	38	12	sandwich	sandwich	NOUN
bibechana-46397	38	13	type	type	NOUN
bibechana-46397	38	14	structure	structure	NOUN
bibechana-46397	38	15	,	,	PUNCT
bibechana-46397	38	16	which	which	PRON
bibechana-46397	38	17	is	be	AUX
bibechana-46397	38	18	shown	show	VERB
bibechana-46397	38	19	in	in	ADP
bibechana-46397	38	20	fig	fig	NOUN
bibechana-46397	38	21	.	.	PUNCT
bibechana-46397	39	1	1	1	X
bibechana-46397	39	2	.	.	X
bibechana-46397	40	1	it	it	PRON
bibechana-46397	40	2	is	be	AUX
bibechana-46397	40	3	separated	separate	VERB
bibechana-46397	40	4	by	by	ADP
bibechana-46397	40	5	in	in	ADP
bibechana-46397	40	6	z	z	NOUN
bibechana-46397	40	7	direction	direction	NOUN
bibechana-46397	40	8	from	from	ADP
bibechana-46397	40	9	the	the	DET
bibechana-46397	40	10	van	van	PROPN
bibechana-46397	40	11	der	der	PROPN
bibechana-46397	40	12	wall	wall	PROPN
bibechana-46397	40	13	’s	’s	PART
bibechana-46397	40	14	gap	gap	NOUN
bibechana-46397	40	15	[	[	X
bibechana-46397	40	16	18	18	NUM
bibechana-46397	40	17	]	]	PUNCT
bibechana-46397	40	18	.	.	PUNCT
bibechana-46397	41	1	in	in	ADP
bibechana-46397	41	2	a	a	DET
bibechana-46397	41	3	very	very	ADV
bibechana-46397	41	4	weak	weak	ADJ
bibechana-46397	41	5	van	van	PROPN
bibechana-46397	41	6	der	der	PROPN
bibechana-46397	41	7	wall	wall	PROPN
bibechana-46397	41	8	’s	’s	PART
bibechana-46397	41	9	attraction	attraction	NOUN
bibechana-46397	41	10	between	between	ADP
bibechana-46397	41	11	the	the	DET
bibechana-46397	41	12	interlayers	interlayer	NOUN
bibechana-46397	41	13	of	of	ADP
bibechana-46397	41	14	ti	ti	NOUN
bibechana-46397	41	15	and	and	CCONJ
bibechana-46397	41	16	s	s	PROPN
bibechana-46397	41	17	,	,	PUNCT
bibechana-46397	41	18	the	the	DET
bibechana-46397	41	19	guest	guest	NOUN
bibechana-46397	41	20	3d	3d	PROPN
bibechana-46397	41	21	atom	atom	NOUN
bibechana-46397	41	22	like	like	ADP
bibechana-46397	41	23	fe	fe	X
bibechana-46397	41	24	can	can	AUX
bibechana-46397	41	25	be	be	AUX
bibechana-46397	41	26	easily	easily	ADV
bibechana-46397	41	27	intercalant	intercalant	ADJ
bibechana-46397	41	28	in	in	ADP
bibechana-46397	41	29	pure	pure	ADJ
bibechana-46397	41	30	tis2	tis2	PROPN
bibechana-46397	41	31	.	.	PUNCT
bibechana-46397	42	1	therefore	therefore	ADV
bibechana-46397	42	2	,	,	PUNCT
bibechana-46397	42	3	the	the	DET
bibechana-46397	42	4	fe	fe	PROPN
bibechana-46397	42	5	atom	atom	NOUN
bibechana-46397	42	6	having	have	VERB
bibechana-46397	42	7	a	a	DET
bibechana-46397	42	8	lattice	lattice	NOUN
bibechana-46397	42	9	position	position	NOUN
bibechana-46397	42	10	is	be	AUX
bibechana-46397	42	11	1b	1b	NUM
bibechana-46397	42	12	(	(	PUNCT
bibechana-46397	42	13	0	0	NUM
bibechana-46397	42	14	,	,	PUNCT
bibechana-46397	42	15	0	0	NUM
bibechana-46397	42	16	,	,	PUNCT
bibechana-46397	42	17	0.5	0.5	NUM
bibechana-46397	42	18	)	)	PUNCT
bibechana-46397	42	19	in	in	ADP
bibechana-46397	42	20	the	the	DET
bibechana-46397	42	21	structure	structure	NOUN
bibechana-46397	42	22	and	and	CCONJ
bibechana-46397	42	23	formulate	formulate	VERB
bibechana-46397	42	24	the	the	DET
bibechana-46397	42	25	hexagonal	hexagonal	ADJ
bibechana-46397	42	26	crystal	crystal	NOUN
bibechana-46397	42	27	structure	structure	NOUN
bibechana-46397	42	28	with	with	ADP
bibechana-46397	42	29	space	space	NOUN
bibechana-46397	42	30	group	group	NOUN
bibechana-46397	42	31	p3ml	p3ml	PUNCT
bibechana-46397	43	1	[	[	X
bibechana-46397	43	2	164	164	NUM
bibechana-46397	43	3	]	]	PUNCT
bibechana-46397	43	4	as	as	SCONJ
bibechana-46397	43	5	shown	show	VERB
bibechana-46397	43	6	in	in	ADP
bibechana-46397	43	7	fig	fig	NOUN
bibechana-46397	43	8	.	.	PUNCT
bibechana-46397	44	1	2	2	X
bibechana-46397	44	2	.	.	X
bibechana-46397	44	3	in	in	ADP
bibechana-46397	44	4	fetis2	fetis2	PROPN
bibechana-46397	44	5	,	,	PUNCT
bibechana-46397	44	6	the	the	DET
bibechana-46397	44	7	lattice	lattice	NOUN
bibechana-46397	44	8	parameters	parameter	NOUN
bibechana-46397	44	9	are	be	AUX
bibechana-46397	44	10	a	a	DET
bibechana-46397	44	11	=	=	X
bibechana-46397	44	12	3.4395å	3.4395å	PROPN
bibechana-46397	44	13	and	and	CCONJ
bibechana-46397	44	14	c	c	NOUN
bibechana-46397	44	15	=	=	SYM
bibechana-46397	44	16	5.9303å	5.9303å	PROPN
bibechana-46397	44	17	.	.	PUNCT
bibechana-46397	45	1	the	the	DET
bibechana-46397	45	2	brillouin	brillouin	PROPN
bibechana-46397	45	3	zone	zone	NOUN
bibechana-46397	45	4	(	(	PUNCT
bibechana-46397	45	5	ibz	ibz	PROPN
bibechana-46397	45	6	)	)	PUNCT
bibechana-46397	45	7	for	for	ADP
bibechana-46397	45	8	hexagonal	hexagonal	ADJ
bibechana-46397	45	9	crystal	crystal	NOUN
bibechana-46397	45	10	structure	structure	NOUN
bibechana-46397	45	11	is	be	AUX
bibechana-46397	45	12	shown	show	VERB
bibechana-46397	45	13	in	in	ADP
bibechana-46397	45	14	fig	fig	NOUN
bibechana-46397	45	15	.	.	PUNCT
bibechana-46397	46	1	3	3	X
bibechana-46397	46	2	.	.	X
bibechana-46397	46	3	fig	fig	NOUN
bibechana-46397	46	4	.	.	PUNCT
bibechana-46397	47	1	1	1	NUM
bibechana-46397	47	2	–	–	PUNCT
bibechana-46397	47	3	crystal	crystal	NOUN
bibechana-46397	47	4	structure	structure	NOUN
bibechana-46397	47	5	of	of	ADP
bibechana-46397	47	6	tis2	tis2	PROPN
bibechana-46397	47	7	fig	fig	NOUN
bibechana-46397	47	8	.	.	PUNCT
bibechana-46397	48	1	2	2	NUM
bibechana-46397	48	2	–	–	PUNCT
bibechana-46397	48	3	crystal	crystal	NOUN
bibechana-46397	48	4	structure	structure	NOUN
bibechana-46397	48	5	of	of	ADP
bibechana-46397	48	6	fetis2	fetis2	ADJ
bibechana-46397	48	7	bibechana	bibechana	NOUN
bibechana-46397	48	8	19	19	NUM
bibechana-46397	48	9	(	(	PUNCT
bibechana-46397	48	10	1	1	NUM
bibechana-46397	48	11	-	-	SYM
bibechana-46397	48	12	2	2	NUM
bibechana-46397	48	13	)	)	PUNCT
bibechana-46397	48	14	(	(	PUNCT
bibechana-46397	48	15	2022	2022	NUM
bibechana-46397	48	16	)	)	PUNCT
bibechana-46397	48	17	97	97	NUM
bibechana-46397	48	18	-	-	SYM
bibechana-46397	48	19	101	101	NUM
bibechana-46397	48	20	99	99	NUM
bibechana-46397	48	21	fig	fig	NOUN
bibechana-46397	48	22	.	.	PUNCT
bibechana-46397	49	1	3	3	NUM
bibechana-46397	49	2	–	–	PUNCT
bibechana-46397	49	3	brillouin	brillouin	NOUN
bibechana-46397	49	4	zone	zone	NOUN
bibechana-46397	49	5	for	for	ADP
bibechana-46397	49	6	hexagonal	hexagonal	ADJ
bibechana-46397	49	7	structure	structure	NOUN
bibechana-46397	49	8	3.2	3.2	NUM
bibechana-46397	49	9	electronic	electronic	ADJ
bibechana-46397	49	10	properties	property	NOUN
bibechana-46397	49	11	in	in	ADP
bibechana-46397	49	12	electronic	electronic	ADJ
bibechana-46397	49	13	properties	property	NOUN
bibechana-46397	49	14	,	,	PUNCT
bibechana-46397	49	15	the	the	DET
bibechana-46397	49	16	energy	energy	NOUN
bibechana-46397	49	17	band	band	NOUN
bibechana-46397	49	18	structure	structure	NOUN
bibechana-46397	49	19	,	,	PUNCT
bibechana-46397	49	20	density	density	NOUN
bibechana-46397	49	21	of	of	ADP
bibechana-46397	49	22	states	state	NOUN
bibechana-46397	49	23	(	(	PUNCT
bibechana-46397	49	24	dos	dos	PROPN
bibechana-46397	49	25	)	)	PUNCT
bibechana-46397	49	26	,	,	PUNCT
bibechana-46397	49	27	total	total	ADJ
bibechana-46397	49	28	density	density	NOUN
bibechana-46397	49	29	of	of	ADP
bibechana-46397	49	30	states	state	NOUN
bibechana-46397	49	31	(	(	PUNCT
bibechana-46397	49	32	tdos	tdo	NOUN
bibechana-46397	49	33	)	)	PUNCT
bibechana-46397	49	34	and	and	CCONJ
bibechana-46397	49	35	partial	partial	ADJ
bibechana-46397	49	36	or	or	CCONJ
bibechana-46397	49	37	projected	project	VERB
bibechana-46397	49	38	density	density	NOUN
bibechana-46397	49	39	of	of	ADP
bibechana-46397	49	40	states	state	NOUN
bibechana-46397	49	41	(	(	PUNCT
bibechana-46397	49	42	pdos	pdo	NOUN
bibechana-46397	49	43	)	)	PUNCT
bibechana-46397	49	44	of	of	ADP
bibechana-46397	49	45	the	the	DET
bibechana-46397	49	46	studied	study	VERB
bibechana-46397	49	47	are	be	AUX
bibechana-46397	49	48	reported	report	VERB
bibechana-46397	49	49	.	.	PUNCT
bibechana-46397	50	1	3.3	3.3	NUM
bibechana-46397	50	2	band	band	NOUN
bibechana-46397	50	3	structure	structure	NOUN
bibechana-46397	50	4	the	the	DET
bibechana-46397	50	5	energy	energy	NOUN
bibechana-46397	50	6	band	band	NOUN
bibechana-46397	50	7	structures	structure	NOUN
bibechana-46397	50	8	for	for	ADP
bibechana-46397	50	9	tis2	tis2	PROPN
bibechana-46397	50	10	material	material	NOUN
bibechana-46397	50	11	are	be	AUX
bibechana-46397	50	12	plotted	plot	VERB
bibechana-46397	50	13	in	in	ADP
bibechana-46397	50	14	fig	fig	NOUN
bibechana-46397	50	15	.	.	PUNCT
bibechana-46397	51	1	4	4	NUM
bibechana-46397	51	2	with	with	ADP
bibechana-46397	51	3	the	the	DET
bibechana-46397	51	4	path	path	NOUN
bibechana-46397	51	5	of	of	ADP
bibechana-46397	51	6	the	the	DET
bibechana-46397	51	7	k	k	PROPN
bibechana-46397	51	8	points	point	NOUN
bibechana-46397	51	9	is	be	AUX
bibechana-46397	51	10	taken	take	VERB
bibechana-46397	51	11	on	on	ADP
bibechana-46397	51	12	the	the	DET
bibechana-46397	51	13	high	high	ADJ
bibechana-46397	51	14	symmetry	symmetry	NOUN
bibechana-46397	51	15	points	point	NOUN
bibechana-46397	51	16	.	.	PUNCT
bibechana-46397	52	1	such	such	ADJ
bibechana-46397	52	2	path	path	NOUN
bibechana-46397	52	3	is	be	AUX
bibechana-46397	52	4	of	of	ADP
bibechana-46397	52	5	the	the	DET
bibechana-46397	52	6	order	order	NOUN
bibechana-46397	52	7	of	of	ADP
bibechana-46397	52	8	→m→k→→a	→m→k→→a	PUNCT
bibechana-46397	52	9	.	.	PUNCT
bibechana-46397	53	1	the	the	DET
bibechana-46397	53	2	energy	energy	NOUN
bibechana-46397	53	3	band	band	NOUN
bibechana-46397	53	4	structures	structure	NOUN
bibechana-46397	53	5	of	of	ADP
bibechana-46397	53	6	tis2	tis2	PROPN
bibechana-46397	53	7	are	be	AUX
bibechana-46397	53	8	displayed	display	VERB
bibechana-46397	53	9	in	in	ADP
bibechana-46397	53	10	the	the	DET
bibechana-46397	53	11	energy	energy	NOUN
bibechana-46397	53	12	range	range	NOUN
bibechana-46397	53	13	of	of	ADP
bibechana-46397	53	14	-10.0	-10.0	PROPN
bibechana-46397	53	15	ev	ev	NOUN
bibechana-46397	53	16	to	to	ADP
bibechana-46397	53	17	10.0	10.0	NUM
bibechana-46397	53	18	ev	ev	NOUN
bibechana-46397	53	19	.	.	PUNCT
bibechana-46397	54	1	the	the	DET
bibechana-46397	54	2	k	k	NOUN
bibechana-46397	54	3	-	-	NOUN
bibechana-46397	54	4	path	path	NOUN
bibechana-46397	54	5	of	of	ADP
bibechana-46397	54	6	the	the	DET
bibechana-46397	54	7	band	band	NOUN
bibechana-46397	54	8	structure	structure	NOUN
bibechana-46397	54	9	is	be	AUX
bibechana-46397	54	10	highly	highly	ADV
bibechana-46397	54	11	symmetric	symmetric	ADJ
bibechana-46397	54	12	directions	direction	NOUN
bibechana-46397	54	13	with	with	ADP
bibechana-46397	54	14	the	the	DET
bibechana-46397	54	15	irreducible	irreducible	ADJ
bibechana-46397	54	16	brillouin	brillouin	NOUN
bibechana-46397	54	17	zone	zone	NOUN
bibechana-46397	54	18	(	(	PUNCT
bibechana-46397	54	19	ibz	ibz	NOUN
bibechana-46397	54	20	)	)	PUNCT
bibechana-46397	54	21	.	.	PUNCT
bibechana-46397	55	1	generally	generally	ADV
bibechana-46397	55	2	,	,	PUNCT
bibechana-46397	55	3	the	the	DET
bibechana-46397	55	4	energy	energy	NOUN
bibechana-46397	55	5	band	band	NOUN
bibechana-46397	55	6	lines	line	NOUN
bibechana-46397	55	7	are	be	AUX
bibechana-46397	55	8	not	not	PART
bibechana-46397	55	9	overlapped	overlap	VERB
bibechana-46397	55	10	near	near	ADV
bibechana-46397	55	11	at	at	ADP
bibechana-46397	55	12	the	the	DET
bibechana-46397	55	13	fermi	fermi	NOUN
bibechana-46397	55	14	region	region	NOUN
bibechana-46397	55	15	.	.	PUNCT
bibechana-46397	56	1	hence	hence	ADV
bibechana-46397	56	2	,	,	PUNCT
bibechana-46397	56	3	the	the	DET
bibechana-46397	56	4	tis2	tis2	PROPN
bibechana-46397	56	5	band	band	NOUN
bibechana-46397	56	6	structure	structure	NOUN
bibechana-46397	56	7	has	have	VERB
bibechana-46397	56	8	a	a	DET
bibechana-46397	56	9	semiconductor	semiconductor	NOUN
bibechana-46397	56	10	nature	nature	NOUN
bibechana-46397	56	11	with	with	ADP
bibechana-46397	56	12	small	small	ADJ
bibechana-46397	56	13	indirect	indirect	ADJ
bibechana-46397	56	14	bandgap	bandgap	NOUN
bibechana-46397	56	15	[	[	X
bibechana-46397	56	16	17	17	NUM
bibechana-46397	56	17	]	]	PUNCT
bibechana-46397	56	18	.	.	PUNCT
bibechana-46397	57	1	fig	fig	NOUN
bibechana-46397	57	2	.	.	PUNCT
bibechana-46397	58	1	4	4	NUM
bibechana-46397	58	2	–	–	PUNCT
bibechana-46397	58	3	electronic	electronic	ADJ
bibechana-46397	58	4	band	band	NOUN
bibechana-46397	58	5	structure	structure	NOUN
bibechana-46397	58	6	of	of	ADP
bibechana-46397	58	7	tis2	tis2	PROPN
bibechana-46397	58	8	fig	fig	NOUN
bibechana-46397	58	9	.	.	PUNCT
bibechana-46397	59	1	5	5	NUM
bibechana-46397	59	2	–	–	PUNCT
bibechana-46397	59	3	electronic	electronic	ADJ
bibechana-46397	59	4	band	band	NOUN
bibechana-46397	59	5	structure	structure	NOUN
bibechana-46397	59	6	of	of	ADP
bibechana-46397	59	7	fetis2	fetis2	NOUN
bibechana-46397	59	8	spin	spin	NOUN
bibechana-46397	59	9	up	up	ADP
bibechana-46397	59	10	fig	fig	NOUN
bibechana-46397	59	11	.	.	PUNCT
bibechana-46397	60	1	6	6	NUM
bibechana-46397	60	2	–	–	PUNCT
bibechana-46397	60	3	electronic	electronic	ADJ
bibechana-46397	60	4	band	band	NOUN
bibechana-46397	60	5	structure	structure	NOUN
bibechana-46397	60	6	of	of	ADP
bibechana-46397	60	7	fetis2	fetis2	NOUN
bibechana-46397	60	8	spin	spin	NOUN
bibechana-46397	60	9	down	down	ADP
bibechana-46397	60	10	the	the	DET
bibechana-46397	60	11	energy	energy	NOUN
bibechana-46397	60	12	band	band	NOUN
bibechana-46397	60	13	structures	structure	NOUN
bibechana-46397	60	14	of	of	ADP
bibechana-46397	60	15	fetis2	fetis2	ADJ
bibechana-46397	60	16	material	material	NOUN
bibechana-46397	60	17	are	be	AUX
bibechana-46397	60	18	shown	show	VERB
bibechana-46397	60	19	in	in	ADP
bibechana-46397	60	20	figs	fig	NOUN
bibechana-46397	60	21	.	.	PUNCT
bibechana-46397	61	1	5	5	NUM
bibechana-46397	61	2	and	and	CCONJ
bibechana-46397	61	3	6	6	NUM
bibechana-46397	61	4	.	.	PUNCT
bibechana-46397	62	1	here	here	ADV
bibechana-46397	62	2	,	,	PUNCT
bibechana-46397	62	3	the	the	DET
bibechana-46397	62	4	energy	energy	NOUN
bibechana-46397	62	5	band	band	NOUN
bibechana-46397	62	6	lines	line	NOUN
bibechana-46397	62	7	are	be	AUX
bibechana-46397	62	8	overlapped	overlap	VERB
bibechana-46397	62	9	near	near	ADV
bibechana-46397	62	10	at	at	ADP
bibechana-46397	62	11	the	the	DET
bibechana-46397	62	12	fermi	fermi	NOUN
bibechana-46397	62	13	region	region	NOUN
bibechana-46397	62	14	.	.	PUNCT
bibechana-46397	63	1	therefore	therefore	ADV
bibechana-46397	63	2	,	,	PUNCT
bibechana-46397	63	3	the	the	DET
bibechana-46397	63	4	conduction	conduction	NOUN
bibechana-46397	63	5	band	band	NOUN
bibechana-46397	63	6	and	and	CCONJ
bibechana-46397	63	7	valance	valance	NOUN
bibechana-46397	63	8	band	band	NOUN
bibechana-46397	63	9	are	be	AUX
bibechana-46397	63	10	crossed	cross	VERB
bibechana-46397	63	11	over	over	ADP
bibechana-46397	63	12	to	to	ADP
bibechana-46397	63	13	each	each	DET
bibechana-46397	63	14	other	other	ADJ
bibechana-46397	63	15	near	near	ADV
bibechana-46397	63	16	at	at	ADP
bibechana-46397	63	17	the	the	DET
bibechana-46397	63	18	fermi	fermi	NOUN
bibechana-46397	63	19	region	region	NOUN
bibechana-46397	63	20	in	in	ADP
bibechana-46397	63	21	the	the	DET
bibechana-46397	63	22	energy	energy	NOUN
bibechana-46397	63	23	range	range	NOUN
bibechana-46397	63	24	of	of	ADP
bibechana-46397	63	25	-5.0	-5.0	PUNCT
bibechana-46397	63	26	ev	ev	X
bibechana-46397	63	27	to	to	ADP
bibechana-46397	63	28	5.0	5.0	NUM
bibechana-46397	63	29	ev	ev	NOUN
bibechana-46397	63	30	.	.	PROPN
bibechana-46397	64	1	hence	hence	ADV
bibechana-46397	64	2	,	,	PUNCT
bibechana-46397	64	3	we	we	PRON
bibechana-46397	64	4	conclude	conclude	VERB
bibechana-46397	64	5	that	that	SCONJ
bibechana-46397	64	6	the	the	DET
bibechana-46397	64	7	fetis2	fetis2	ADJ
bibechana-46397	64	8	intercalated	intercalated	ADJ
bibechana-46397	64	9	compound	compound	NOUN
bibechana-46397	64	10	has	have	VERB
bibechana-46397	64	11	a	a	DET
bibechana-46397	64	12	metallic	metallic	ADJ
bibechana-46397	64	13	characteristic	characteristic	NOUN
bibechana-46397	64	14	whereas	whereas	SCONJ
bibechana-46397	64	15	tis2	tis2	PROPN
bibechana-46397	64	16	has	have	VERB
bibechana-46397	64	17	a	a	DET
bibechana-46397	64	18	semiconductor	semiconductor	NOUN
bibechana-46397	64	19	characteristic	characteristic	NOUN
bibechana-46397	64	20	.	.	PUNCT
bibechana-46397	65	1	also	also	ADV
bibechana-46397	65	2	,	,	PUNCT
bibechana-46397	65	3	according	accord	VERB
bibechana-46397	65	4	the	the	DET
bibechana-46397	65	5	spin	spin	NOUN
bibechana-46397	65	6	up	up	ADP
bibechana-46397	65	7	and	and	CCONJ
bibechana-46397	65	8	spin	spin	VERB
bibechana-46397	65	9	down	down	ADP
bibechana-46397	65	10	band	band	NOUN
bibechana-46397	65	11	structures	structure	NOUN
bibechana-46397	65	12	of	of	ADP
bibechana-46397	65	13	fetis2	fetis2	PROPN
bibechana-46397	65	14	,	,	PUNCT
bibechana-46397	65	15	the	the	DET
bibechana-46397	65	16	ferromagnetic	ferromagnetic	ADJ
bibechana-46397	65	17	nature	nature	NOUN
bibechana-46397	65	18	of	of	ADP
bibechana-46397	65	19	the	the	DET
bibechana-46397	65	20	said	say	VERB
bibechana-46397	65	21	compound	compound	NOUN
bibechana-46397	65	22	are	be	AUX
bibechana-46397	65	23	observed	observe	VERB
bibechana-46397	65	24	.	.	PUNCT
bibechana-46397	66	1	3.4	3.4	NUM
bibechana-46397	66	2	density	density	NOUN
bibechana-46397	66	3	of	of	ADP
bibechana-46397	66	4	states	state	NOUN
bibechana-46397	66	5	(	(	PUNCT
bibechana-46397	66	6	dos	do	NOUN
bibechana-46397	66	7	)	)	PUNCT
bibechana-46397	66	8	from	from	ADP
bibechana-46397	66	9	the	the	DET
bibechana-46397	66	10	partial	partial	ADJ
bibechana-46397	66	11	or	or	CCONJ
bibechana-46397	66	12	projected	project	VERB
bibechana-46397	66	13	dos	do	NOUN
bibechana-46397	66	14	,	,	PUNCT
bibechana-46397	66	15	the	the	DET
bibechana-46397	66	16	contributions	contribution	NOUN
bibechana-46397	66	17	from	from	ADP
bibechana-46397	66	18	the	the	DET
bibechana-46397	66	19	individual	individual	ADJ
bibechana-46397	66	20	orbitals	orbital	NOUN
bibechana-46397	66	21	like	like	ADP
bibechana-46397	66	22	s	s	PROPN
bibechana-46397	66	23	,	,	PUNCT
bibechana-46397	66	24	p	p	X
bibechana-46397	66	25	,	,	PUNCT
bibechana-46397	66	26	d	d	PROPN
bibechana-46397	66	27	and	and	CCONJ
bibechana-46397	66	28	f	f	PROPN
bibechana-46397	66	29	of	of	ADP
bibechana-46397	66	30	dissimilar	dissimilar	ADJ
bibechana-46397	66	31	materials	material	NOUN
bibechana-46397	66	32	are	be	AUX
bibechana-46397	66	33	studied	study	VERB
bibechana-46397	66	34	[	[	PUNCT
bibechana-46397	66	35	25	25	NUM
bibechana-46397	66	36	]	]	PUNCT
bibechana-46397	66	37	.	.	PUNCT
bibechana-46397	67	1	here	here	ADV
bibechana-46397	67	2	,	,	PUNCT
bibechana-46397	67	3	we	we	PRON
bibechana-46397	67	4	have	have	AUX
bibechana-46397	67	5	applied	apply	VERB
bibechana-46397	67	6	the	the	DET
bibechana-46397	67	7	tetrahedral	tetrahedral	ADJ
bibechana-46397	67	8	method	method	NOUN
bibechana-46397	67	9	for	for	ADP
bibechana-46397	67	10	taking	take	VERB
bibechana-46397	67	11	integration	integration	NOUN
bibechana-46397	67	12	over	over	ADP
bibechana-46397	67	13	the	the	DET
bibechana-46397	67	14	brillouin	brillouin	NOUN
bibechana-46397	67	15	zone	zone	NOUN
bibechana-46397	67	16	to	to	PART
bibechana-46397	67	17	compute	compute	VERB
bibechana-46397	67	18	the	the	DET
bibechana-46397	67	19	dos	do	NOUN
bibechana-46397	67	20	of	of	ADP
bibechana-46397	67	21	the	the	DET
bibechana-46397	67	22	materials	material	NOUN
bibechana-46397	67	23	.	.	PUNCT
bibechana-46397	68	1	figs	fig	NOUN
bibechana-46397	68	2	.	.	PUNCT
bibechana-46397	68	3	7	7	NUM
bibechana-46397	68	4	and	and	CCONJ
bibechana-46397	68	5	8	8	NUM
bibechana-46397	68	6	,	,	PUNCT
bibechana-46397	68	7	show	show	VERB
bibechana-46397	68	8	the	the	DET
bibechana-46397	68	9	tdos	tdo	NOUN
bibechana-46397	68	10	and	and	CCONJ
bibechana-46397	68	11	pdos	pdo	NOUN
bibechana-46397	68	12	for	for	ADP
bibechana-46397	68	13	tis2	tis2	PROPN
bibechana-46397	68	14	compound	compound	NOUN
bibechana-46397	68	15	.	.	PUNCT
bibechana-46397	69	1	it	it	PRON
bibechana-46397	69	2	is	be	AUX
bibechana-46397	69	3	plotted	plot	VERB
bibechana-46397	69	4	in	in	ADP
bibechana-46397	69	5	the	the	DET
bibechana-46397	69	6	energy	energy	NOUN
bibechana-46397	69	7	range	range	NOUN
bibechana-46397	69	8	between	between	ADP
bibechana-46397	69	9	-10.0	-10.0	PROPN
bibechana-46397	69	10	ev	ev	NOUN
bibechana-46397	69	11	to	to	ADP
bibechana-46397	69	12	10.0	10.0	NUM
bibechana-46397	69	13	ev	ev	NOUN
bibechana-46397	69	14	.	.	PUNCT
bibechana-46397	70	1	in	in	ADP
bibechana-46397	70	2	tdos	tdo	NOUN
bibechana-46397	70	3	below	below	ADP
bibechana-46397	70	4	the	the	DET
bibechana-46397	70	5	fermi	fermi	NOUN
bibechana-46397	70	6	region	region	NOUN
bibechana-46397	70	7	,	,	PUNCT
bibechana-46397	70	8	the	the	DET
bibechana-46397	70	9	electron	electron	NOUN
bibechana-46397	70	10	density	density	NOUN
bibechana-46397	70	11	maximum	maximum	NOUN
bibechana-46397	70	12	at	at	ADP
bibechana-46397	70	13	9.0	9.0	NUM
bibechana-46397	70	14	states	state	NOUN
bibechana-46397	70	15	/	/	SYM
bibechana-46397	70	16	ev	ev	INTJ
bibechana-46397	70	17	at	at	ADP
bibechana-46397	70	18	a	a	DET
bibechana-46397	70	19	point	point	NOUN
bibechana-46397	70	20	-3.0	-3.0	PUNCT
bibechana-46397	70	21	ev	ev	INTJ
bibechana-46397	70	22	.	.	PROPN
bibechana-46397	71	1	while	while	SCONJ
bibechana-46397	71	2	,	,	PUNCT
bibechana-46397	71	3	above	above	ADP
bibechana-46397	71	4	the	the	DET
bibechana-46397	71	5	fermi	fermi	NOUN
bibechana-46397	71	6	region	region	NOUN
bibechana-46397	71	7	,	,	PUNCT
bibechana-46397	71	8	the	the	DET
bibechana-46397	71	9	electron	electron	NOUN
bibechana-46397	71	10	density	density	NOUN
bibechana-46397	71	11	maximum	maximum	NOUN
bibechana-46397	71	12	at	at	ADP
bibechana-46397	71	13	7.0	7.0	NUM
bibechana-46397	71	14	states	state	NOUN
bibechana-46397	71	15	/	/	SYM
bibechana-46397	71	16	ev	ev	INTJ
bibechana-46397	71	17	at	at	ADP
bibechana-46397	71	18	a	a	DET
bibechana-46397	71	19	point	point	NOUN
bibechana-46397	71	20	2.0	2.0	NUM
bibechana-46397	71	21	ev	ev	NOUN
bibechana-46397	71	22	,	,	PUNCT
bibechana-46397	71	23	respectively	respectively	ADV
bibechana-46397	71	24	.	.	PUNCT
bibechana-46397	72	1	the	the	DET
bibechana-46397	72	2	dos	do	NOUN
bibechana-46397	72	3	at	at	ADP
bibechana-46397	72	4	the	the	DET
bibechana-46397	72	5	fermi	fermi	NOUN
bibechana-46397	72	6	region	region	NOUN
bibechana-46397	72	7	is	be	AUX
bibechana-46397	72	8	shown	show	VERB
bibechana-46397	72	9	minimum	minimum	NOUN
bibechana-46397	72	10	.	.	PUNCT
bibechana-46397	73	1	the	the	DET
bibechana-46397	73	2	3d	3d	NUM
bibechana-46397	73	3	-	-	PUNCT
bibechana-46397	73	4	states	state	NOUN
bibechana-46397	73	5	of	of	ADP
bibechana-46397	73	6	ti	ti	NOUN
bibechana-46397	73	7	and	and	CCONJ
bibechana-46397	73	8	3p	3p	NUM
bibechana-46397	73	9	-	-	PUNCT
bibechana-46397	73	10	states	state	NOUN
bibechana-46397	73	11	of	of	ADP
bibechana-46397	73	12	s	s	NOUN
bibechana-46397	73	13	are	be	AUX
bibechana-46397	73	14	drawn	draw	VERB
bibechana-46397	73	15	in	in	ADP
bibechana-46397	73	16	the	the	DET
bibechana-46397	73	17	graph	graph	NOUN
bibechana-46397	73	18	bibechana	bibechana	NOUN
bibechana-46397	73	19	19	19	NUM
bibechana-46397	73	20	(	(	PUNCT
bibechana-46397	73	21	1	1	NUM
bibechana-46397	73	22	-	-	SYM
bibechana-46397	73	23	2	2	NUM
bibechana-46397	73	24	)	)	PUNCT
bibechana-46397	73	25	(	(	PUNCT
bibechana-46397	73	26	2022	2022	NUM
bibechana-46397	73	27	)	)	PUNCT
bibechana-46397	73	28	97	97	NUM
bibechana-46397	73	29	-	-	SYM
bibechana-46397	73	30	101	101	NUM
bibechana-46397	73	31	100	100	NUM
bibechana-46397	73	32	of	of	ADP
bibechana-46397	73	33	pdos	pdo	NOUN
bibechana-46397	73	34	of	of	ADP
bibechana-46397	73	35	tis2	tis2	PROPN
bibechana-46397	73	36	.	.	PUNCT
bibechana-46397	74	1	here	here	ADV
bibechana-46397	74	2	,	,	PUNCT
bibechana-46397	74	3	the	the	DET
bibechana-46397	74	4	3d	3d	NOUN
bibechana-46397	74	5	-	-	PUNCT
bibechana-46397	74	6	states	state	NOUN
bibechana-46397	74	7	of	of	ADP
bibechana-46397	74	8	ti	ti	NOUN
bibechana-46397	74	9	are	be	AUX
bibechana-46397	74	10	mainly	mainly	ADV
bibechana-46397	74	11	contributed	contribute	VERB
bibechana-46397	74	12	to	to	ADP
bibechana-46397	74	13	the	the	DET
bibechana-46397	74	14	conduction	conduction	NOUN
bibechana-46397	74	15	band	band	NOUN
bibechana-46397	74	16	,	,	PUNCT
bibechana-46397	74	17	while	while	SCONJ
bibechana-46397	74	18	3p	3p	NUM
bibechana-46397	74	19	-	-	PUNCT
bibechana-46397	74	20	states	state	NOUN
bibechana-46397	74	21	of	of	ADP
bibechana-46397	74	22	s	s	NOUN
bibechana-46397	74	23	are	be	AUX
bibechana-46397	74	24	mainly	mainly	ADV
bibechana-46397	74	25	contributed	contribute	VERB
bibechana-46397	74	26	to	to	ADP
bibechana-46397	74	27	the	the	DET
bibechana-46397	74	28	valance	valance	NOUN
bibechana-46397	74	29	band	band	NOUN
bibechana-46397	74	30	only	only	ADV
bibechana-46397	74	31	,	,	PUNCT
bibechana-46397	74	32	which	which	PRON
bibechana-46397	74	33	can	can	AUX
bibechana-46397	74	34	easily	easily	ADV
bibechana-46397	74	35	be	be	AUX
bibechana-46397	74	36	observed	observe	VERB
bibechana-46397	74	37	from	from	ADP
bibechana-46397	74	38	the	the	DET
bibechana-46397	74	39	figure	figure	NOUN
bibechana-46397	74	40	of	of	ADP
bibechana-46397	74	41	pdos	pdo	NOUN
bibechana-46397	74	42	.	.	PUNCT
bibechana-46397	75	1	therefore	therefore	ADV
bibechana-46397	75	2	,	,	PUNCT
bibechana-46397	75	3	the	the	DET
bibechana-46397	75	4	tis2	tis2	PROPN
bibechana-46397	75	5	shows	show	VERB
bibechana-46397	75	6	a	a	DET
bibechana-46397	75	7	semiconductor	semiconductor	NOUN
bibechana-46397	75	8	nature	nature	NOUN
bibechana-46397	75	9	.	.	PUNCT
bibechana-46397	76	1	fig	fig	NOUN
bibechana-46397	76	2	.	.	PUNCT
bibechana-46397	77	1	7	7	NUM
bibechana-46397	77	2	–	–	PUNCT
bibechana-46397	77	3	total	total	ADJ
bibechana-46397	77	4	dos	do	NOUN
bibechana-46397	77	5	of	of	ADP
bibechana-46397	77	6	tis2	tis2	PROPN
bibechana-46397	77	7	fig	fig	NOUN
bibechana-46397	77	8	.	.	PUNCT
bibechana-46397	78	1	8	8	NUM
bibechana-46397	78	2	–	–	PUNCT
bibechana-46397	78	3	partial	partial	ADJ
bibechana-46397	78	4	dos	do	NOUN
bibechana-46397	78	5	of	of	ADP
bibechana-46397	78	6	tis2	tis2	PROPN
bibechana-46397	78	7	the	the	DET
bibechana-46397	78	8	tdos	tdo	NOUN
bibechana-46397	78	9	and	and	CCONJ
bibechana-46397	78	10	pdos	pdo	NOUN
bibechana-46397	78	11	of	of	ADP
bibechana-46397	78	12	fetis2	fetis2	NOUN
bibechana-46397	78	13	material	material	NOUN
bibechana-46397	78	14	are	be	AUX
bibechana-46397	78	15	shown	show	VERB
bibechana-46397	78	16	in	in	ADP
bibechana-46397	78	17	figs	fig	NOUN
bibechana-46397	78	18	.	.	PUNCT
bibechana-46397	79	1	9	9	NUM
bibechana-46397	79	2	and	and	CCONJ
bibechana-46397	79	3	10	10	NUM
bibechana-46397	79	4	.	.	PUNCT
bibechana-46397	80	1	it	it	PRON
bibechana-46397	80	2	is	be	AUX
bibechana-46397	80	3	planned	plan	VERB
bibechana-46397	80	4	in	in	ADP
bibechana-46397	80	5	the	the	DET
bibechana-46397	80	6	energy	energy	NOUN
bibechana-46397	80	7	range	range	NOUN
bibechana-46397	80	8	between	between	ADP
bibechana-46397	80	9	-10.0	-10.0	PROPN
bibechana-46397	80	10	ev	ev	NOUN
bibechana-46397	80	11	to	to	ADP
bibechana-46397	80	12	10.0	10.0	NUM
bibechana-46397	80	13	ev	ev	INTJ
bibechana-46397	80	14	in	in	ADP
bibechana-46397	80	15	spin	spin	NOUN
bibechana-46397	80	16	up	up	ADP
bibechana-46397	80	17	and	and	CCONJ
bibechana-46397	80	18	spin	spin	VERB
bibechana-46397	80	19	down	down	ADP
bibechana-46397	80	20	energy	energy	NOUN
bibechana-46397	80	21	states	state	NOUN
bibechana-46397	80	22	.	.	PUNCT
bibechana-46397	81	1	in	in	ADP
bibechana-46397	81	2	tdos	tdo	NOUN
bibechana-46397	81	3	below	below	ADP
bibechana-46397	81	4	the	the	DET
bibechana-46397	81	5	fermi	fermi	NOUN
bibechana-46397	81	6	region	region	NOUN
bibechana-46397	81	7	,	,	PUNCT
bibechana-46397	81	8	the	the	DET
bibechana-46397	81	9	electron	electron	NOUN
bibechana-46397	81	10	density	density	NOUN
bibechana-46397	81	11	found	find	VERB
bibechana-46397	81	12	maximum	maximum	ADJ
bibechana-46397	81	13	at	at	ADP
bibechana-46397	81	14	6.0	6.0	NUM
bibechana-46397	81	15	states	state	NOUN
bibechana-46397	81	16	/	/	SYM
bibechana-46397	81	17	ev	ev	INTJ
bibechana-46397	81	18	at	at	ADP
bibechana-46397	81	19	a	a	DET
bibechana-46397	81	20	point	point	NOUN
bibechana-46397	81	21	-2.0	-2.0	PUNCT
bibechana-46397	81	22	ev	ev	PROPN
bibechana-46397	81	23	in	in	ADP
bibechana-46397	81	24	spin	spin	NOUN
bibechana-46397	81	25	up	up	ADP
bibechana-46397	81	26	dos	do	NOUN
bibechana-46397	81	27	and	and	CCONJ
bibechana-46397	81	28	3.5	3.5	NUM
bibechana-46397	81	29	states	state	NOUN
bibechana-46397	81	30	/	/	SYM
bibechana-46397	81	31	ev	ev	X
bibechana-46397	81	32	at	at	ADP
bibechana-46397	81	33	a	a	DET
bibechana-46397	81	34	point	point	NOUN
bibechana-46397	81	35	-4.5	-4.5	AUX
bibechana-46397	81	36	ev	ev	PROPN
bibechana-46397	81	37	in	in	ADP
bibechana-46397	81	38	spin	spin	NOUN
bibechana-46397	81	39	down	down	ADP
bibechana-46397	81	40	dos	do	NOUN
bibechana-46397	81	41	,	,	PUNCT
bibechana-46397	81	42	respectively	respectively	ADV
bibechana-46397	81	43	.	.	PUNCT
bibechana-46397	82	1	while	while	SCONJ
bibechana-46397	82	2	,	,	PUNCT
bibechana-46397	82	3	above	above	ADP
bibechana-46397	82	4	the	the	DET
bibechana-46397	82	5	fermi	fermi	NOUN
bibechana-46397	82	6	region	region	NOUN
bibechana-46397	82	7	,	,	PUNCT
bibechana-46397	82	8	the	the	DET
bibechana-46397	82	9	electron	electron	NOUN
bibechana-46397	82	10	density	density	NOUN
bibechana-46397	82	11	maximum	maximum	PROPN
bibechana-46397	82	12	found	find	VERB
bibechana-46397	82	13	at	at	ADP
bibechana-46397	82	14	2.0	2.0	NUM
bibechana-46397	82	15	states	state	NOUN
bibechana-46397	82	16	/	/	SYM
bibechana-46397	82	17	ev	ev	X
bibechana-46397	82	18	at	at	ADP
bibechana-46397	82	19	a	a	DET
bibechana-46397	82	20	point	point	NOUN
bibechana-46397	82	21	3.5	3.5	NUM
bibechana-46397	82	22	ev	ev	INTJ
bibechana-46397	82	23	in	in	ADP
bibechana-46397	82	24	spin	spin	NOUN
bibechana-46397	82	25	up	up	ADP
bibechana-46397	82	26	and	and	CCONJ
bibechana-46397	82	27	4.5	4.5	NUM
bibechana-46397	82	28	states	state	NOUN
bibechana-46397	82	29	/	/	SYM
bibechana-46397	82	30	ev	ev	INTJ
bibechana-46397	82	31	at	at	ADP
bibechana-46397	82	32	a	a	DET
bibechana-46397	82	33	point	point	NOUN
bibechana-46397	82	34	2.5	2.5	NUM
bibechana-46397	82	35	ev	ev	INTJ
bibechana-46397	82	36	in	in	ADP
bibechana-46397	82	37	spin	spin	NOUN
bibechana-46397	82	38	down	down	ADP
bibechana-46397	82	39	dos	do	NOUN
bibechana-46397	82	40	,	,	PUNCT
bibechana-46397	82	41	respectively	respectively	ADV
bibechana-46397	82	42	.	.	PUNCT
bibechana-46397	83	1	the	the	DET
bibechana-46397	83	2	dos	do	NOUN
bibechana-46397	83	3	at	at	ADP
bibechana-46397	83	4	the	the	DET
bibechana-46397	83	5	fermi	fermi	NOUN
bibechana-46397	83	6	region	region	NOUN
bibechana-46397	83	7	is	be	AUX
bibechana-46397	83	8	shown	show	VERB
bibechana-46397	83	9	at	at	ADP
bibechana-46397	83	10	2.5	2.5	NUM
bibechana-46397	83	11	states	state	NOUN
bibechana-46397	83	12	/	/	SYM
bibechana-46397	83	13	ev	ev	PROPN
bibechana-46397	83	14	.	.	PROPN
bibechana-46397	83	15	similarly	similarly	ADV
bibechana-46397	83	16	,	,	PUNCT
bibechana-46397	83	17	in	in	ADP
bibechana-46397	83	18	pdos	pdo	NOUN
bibechana-46397	83	19	of	of	ADP
bibechana-46397	83	20	fetis2	fetis2	NOUN
bibechana-46397	83	21	the	the	DET
bibechana-46397	83	22	3d	3d	NUM
bibechana-46397	83	23	-	-	PUNCT
bibechana-46397	83	24	states	state	NOUN
bibechana-46397	83	25	of	of	ADP
bibechana-46397	83	26	fe	fe	NOUN
bibechana-46397	83	27	and	and	CCONJ
bibechana-46397	83	28	ti	ti	NOUN
bibechana-46397	83	29	are	be	AUX
bibechana-46397	83	30	mainly	mainly	ADV
bibechana-46397	83	31	paid	pay	VERB
bibechana-46397	83	32	to	to	ADP
bibechana-46397	83	33	the	the	DET
bibechana-46397	83	34	conduction	conduction	NOUN
bibechana-46397	83	35	band	band	NOUN
bibechana-46397	83	36	,	,	PUNCT
bibechana-46397	83	37	while	while	SCONJ
bibechana-46397	83	38	3p	3p	NUM
bibechana-46397	83	39	states	state	NOUN
bibechana-46397	83	40	of	of	ADP
bibechana-46397	83	41	s	s	NOUN
bibechana-46397	83	42	are	be	AUX
bibechana-46397	83	43	mostly	mostly	ADV
bibechana-46397	83	44	contributed	contribute	VERB
bibechana-46397	83	45	to	to	ADP
bibechana-46397	83	46	the	the	DET
bibechana-46397	83	47	valance	valance	NOUN
bibechana-46397	83	48	band	band	NOUN
bibechana-46397	83	49	only	only	ADV
bibechana-46397	83	50	.	.	PUNCT
bibechana-46397	84	1	hence	hence	ADV
bibechana-46397	84	2	,	,	PUNCT
bibechana-46397	84	3	the	the	DET
bibechana-46397	84	4	metallic	metallic	ADJ
bibechana-46397	84	5	nature	nature	NOUN
bibechana-46397	84	6	of	of	ADP
bibechana-46397	84	7	fetis2	fetis2	NOUN
bibechana-46397	84	8	is	be	AUX
bibechana-46397	84	9	easily	easily	ADV
bibechana-46397	84	10	seen	see	VERB
bibechana-46397	84	11	.	.	PUNCT
bibechana-46397	85	1	fig	fig	NOUN
bibechana-46397	85	2	.	.	PUNCT
bibechana-46397	86	1	9	9	NUM
bibechana-46397	86	2	–	–	PUNCT
bibechana-46397	86	3	total	total	ADJ
bibechana-46397	86	4	dos	do	NOUN
bibechana-46397	86	5	of	of	ADP
bibechana-46397	86	6	fetis2	fetis2	ADJ
bibechana-46397	86	7	fig	fig	NOUN
bibechana-46397	86	8	.	.	PUNCT
bibechana-46397	87	1	10	10	NUM
bibechana-46397	87	2	–	–	PUNCT
bibechana-46397	87	3	partial	partial	ADJ
bibechana-46397	87	4	dos	do	NOUN
bibechana-46397	87	5	of	of	ADP
bibechana-46397	87	6	fetis2	fetis2	ADJ
bibechana-46397	87	7	conclusion	conclusion	NOUN
bibechana-46397	87	8	finally	finally	ADV
bibechana-46397	87	9	,	,	PUNCT
bibechana-46397	87	10	we	we	PRON
bibechana-46397	87	11	conclude	conclude	VERB
bibechana-46397	87	12	that	that	SCONJ
bibechana-46397	87	13	,	,	PUNCT
bibechana-46397	87	14	the	the	DET
bibechana-46397	87	15	structural	structural	ADJ
bibechana-46397	87	16	and	and	CCONJ
bibechana-46397	87	17	electronic	electronic	ADJ
bibechana-46397	87	18	properties	property	NOUN
bibechana-46397	87	19	of	of	ADP
bibechana-46397	87	20	intercalated	intercalated	ADJ
bibechana-46397	87	21	tmdc	tmdc	NOUN
bibechana-46397	87	22	compounds	compound	NOUN
bibechana-46397	87	23	are	be	AUX
bibechana-46397	87	24	successfully	successfully	ADV
bibechana-46397	87	25	caried	carie	VERB
bibechana-46397	87	26	out	out	ADP
bibechana-46397	87	27	using	use	VERB
bibechana-46397	87	28	quantum	quantum	ADJ
bibechana-46397	87	29	espresso	espresso	NOUN
bibechana-46397	87	30	code	code	NOUN
bibechana-46397	87	31	with	with	ADP
bibechana-46397	87	32	burai	burai	NOUN
bibechana-46397	87	33	software	software	NOUN
bibechana-46397	87	34	under	under	ADP
bibechana-46397	87	35	dft	dft	PROPN
bibechana-46397	87	36	environment	environment	NOUN
bibechana-46397	87	37	with	with	ADP
bibechana-46397	87	38	gga	gga	PROPN
bibechana-46397	87	39	-	-	PUNCT
bibechana-46397	87	40	pbe	pbe	PROPN
bibechana-46397	87	41	and	and	CCONJ
bibechana-46397	87	42	ultrasoft	ultrasoft	ADJ
bibechana-46397	87	43	pseudopotential	pseudopotential	NOUN
bibechana-46397	87	44	.	.	PUNCT
bibechana-46397	88	1	from	from	ADP
bibechana-46397	88	2	the	the	DET
bibechana-46397	88	3	electronic	electronic	ADJ
bibechana-46397	88	4	band	band	NOUN
bibechana-46397	88	5	structure	structure	NOUN
bibechana-46397	88	6	data	datum	NOUN
bibechana-46397	88	7	,	,	PUNCT
bibechana-46397	88	8	the	the	DET
bibechana-46397	88	9	semiconducting	semiconducting	NOUN
bibechana-46397	88	10	or	or	CCONJ
bibechana-46397	88	11	semimetallic	semimetallic	ADJ
bibechana-46397	88	12	behaviour	behaviour	NOUN
bibechana-46397	88	13	of	of	ADP
bibechana-46397	88	14	tis2	tis2	PROPN
bibechana-46397	88	15	and	and	CCONJ
bibechana-46397	88	16	metallic	metallic	ADJ
bibechana-46397	88	17	nature	nature	NOUN
bibechana-46397	88	18	of	of	ADP
bibechana-46397	88	19	their	their	PRON
bibechana-46397	88	20	interacted	interact	VERB
bibechana-46397	88	21	compound	compound	NOUN
bibechana-46397	88	22	such	such	ADJ
bibechana-46397	88	23	as	as	ADP
bibechana-46397	88	24	bibechana	bibechana	PROPN
bibechana-46397	88	25	19	19	NUM
bibechana-46397	88	26	(	(	PUNCT
bibechana-46397	88	27	1	1	NUM
bibechana-46397	88	28	-	-	SYM
bibechana-46397	88	29	2	2	NUM
bibechana-46397	88	30	)	)	PUNCT
bibechana-46397	88	31	(	(	PUNCT
bibechana-46397	88	32	2022	2022	NUM
bibechana-46397	88	33	)	)	PUNCT
bibechana-46397	88	34	97	97	NUM
bibechana-46397	88	35	-	-	SYM
bibechana-46397	88	36	101	101	NUM
bibechana-46397	88	37	101	101	NUM
bibechana-46397	88	38	fetis2	fetis2	NOUN
bibechana-46397	88	39	are	be	AUX
bibechana-46397	88	40	easily	easily	ADV
bibechana-46397	88	41	observed	observe	VERB
bibechana-46397	88	42	.	.	PUNCT
bibechana-46397	89	1	also	also	ADV
bibechana-46397	89	2	,	,	PUNCT
bibechana-46397	89	3	from	from	ADP
bibechana-46397	89	4	the	the	DET
bibechana-46397	89	5	spin	spin	NOUN
bibechana-46397	89	6	up	up	ADP
bibechana-46397	89	7	and	and	CCONJ
bibechana-46397	89	8	spin	spin	VERB
bibechana-46397	89	9	down	down	ADP
bibechana-46397	89	10	electronic	electronic	ADJ
bibechana-46397	89	11	configuration	configuration	NOUN
bibechana-46397	89	12	,	,	PUNCT
bibechana-46397	89	13	it	it	PRON
bibechana-46397	89	14	is	be	AUX
bibechana-46397	89	15	noted	note	VERB
bibechana-46397	89	16	that	that	SCONJ
bibechana-46397	89	17	the	the	DET
bibechana-46397	89	18	fetis2	fetis2	NOUN
bibechana-46397	89	19	exhibits	exhibit	VERB
bibechana-46397	89	20	ferromagnetic	ferromagnetic	ADJ
bibechana-46397	89	21	nature	nature	NOUN
bibechana-46397	89	22	.	.	PUNCT
bibechana-46397	90	1	acknowledgment	acknowledgment	NOUN
bibechana-46397	90	2	we	we	PRON
bibechana-46397	90	3	sincerely	sincerely	ADV
bibechana-46397	90	4	acknowledge	acknowledge	VERB
bibechana-46397	90	5	the	the	DET
bibechana-46397	90	6	computational	computational	ADJ
bibechana-46397	90	7	facility	facility	NOUN
bibechana-46397	90	8	developed	develop	VERB
bibechana-46397	90	9	under	under	ADP
bibechana-46397	90	10	dst	dst	NOUN
bibechana-46397	90	11	-	-	PUNCT
bibechana-46397	90	12	fist	fist	NOUN
bibechana-46397	90	13	programme	programme	NOUN
bibechana-46397	90	14	from	from	ADP
bibechana-46397	90	15	the	the	DET
bibechana-46397	90	16	department	department	NOUN
bibechana-46397	90	17	of	of	ADP
bibechana-46397	90	18	science	science	NOUN
bibechana-46397	90	19	and	and	CCONJ
bibechana-46397	90	20	technology	technology	NOUN
bibechana-46397	90	21	,	,	PUNCT
bibechana-46397	90	22	government	government	NOUN
bibechana-46397	90	23	of	of	ADP
bibechana-46397	90	24	india	india	PROPN
bibechana-46397	90	25	,	,	PUNCT
bibechana-46397	90	26	new	new	PROPN
bibechana-46397	90	27	delhi	delhi	PROPN
bibechana-46397	90	28	,	,	PUNCT
bibechana-46397	90	29	india	india	PROPN
bibechana-46397	90	30	and	and	CCONJ
bibechana-46397	90	31	financial	financial	ADJ
bibechana-46397	90	32	assistance	assistance	NOUN
bibechana-46397	90	33	under	under	ADP
bibechana-46397	90	34	drs	drs	ADJ
bibechana-46397	90	35	-	-	PUNCT
bibechana-46397	90	36	sap	sap	NOUN
bibechana-46397	90	37	-	-	PUNCT
bibechana-46397	90	38	ii	ii	PROPN
bibechana-46397	90	39	from	from	ADP
bibechana-46397	90	40	university	university	NOUN
bibechana-46397	90	41	grants	grant	NOUN
bibechana-46397	90	42	commission	commission	PROPN
bibechana-46397	90	43	,	,	PUNCT
bibechana-46397	90	44	new	new	PROPN
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bibechana-46397	90	46	,	,	PUNCT
bibechana-46397	90	47	india	india	PROPN
bibechana-46397	90	48	.	.	PUNCT
bibechana-46397	91	1	references	reference	NOUN
bibechana-46397	91	2	1	1	NUM
bibechana-46397	91	3	.	.	PUNCT
bibechana-46397	92	1	z.	z.	PROPN
bibechana-46397	92	2	y.	y.	PROPN
bibechana-46397	92	3	zhu	zhu	PROPN
bibechana-46397	92	4	,	,	PUNCT
bibechana-46397	92	5	y.	y.	PROPN
bibechana-46397	92	6	c.	c.	PROPN
bibechana-46397	92	7	cheng	cheng	PROPN
bibechana-46397	92	8	,	,	PUNCT
bibechana-46397	92	9	and	and	CCONJ
bibechana-46397	92	10	u.	u.	PROPN
bibechana-46397	92	11	schwingenschlögl	schwingenschlögl	PROPN
bibechana-46397	92	12	,	,	PUNCT
bibechana-46397	92	13	phys	phy	NOUN
bibechana-46397	92	14	.	.	PUNCT
bibechana-46397	93	1	rev	rev	PROPN
bibechana-46397	93	2	.	.	PROPN
bibechana-46397	93	3	b84	b84	PROPN
bibechana-46397	93	4	,	,	PUNCT
bibechana-46397	93	5	153402	153402	NUM
bibechana-46397	93	6	(	(	PUNCT
bibechana-46397	93	7	2011	2011	NUM
bibechana-46397	93	8	)	)	PUNCT
bibechana-46397	93	9	.	.	PUNCT
bibechana-46397	94	1	2	2	X
bibechana-46397	94	2	.	.	X
bibechana-46397	94	3	q.	q.	PROPN
bibechana-46397	94	4	h.	h.	PROPN
bibechana-46397	94	5	wang	wang	PROPN
bibechana-46397	94	6	,	,	PUNCT
bibechana-46397	94	7	k.	k.	PROPN
bibechana-46397	94	8	k.	k.	PROPN
bibechana-46397	94	9	zadeh	zadeh	PROPN
bibechana-46397	94	10	,	,	PUNCT
bibechana-46397	94	11	a.	a.	PROPN
bibechana-46397	94	12	kis	kis	PROPN
bibechana-46397	94	13	,	,	PUNCT
bibechana-46397	94	14	j.	j.	PROPN
bibechana-46397	94	15	n.	n.	PROPN
bibechana-46397	94	16	coleman	coleman	PROPN
bibechana-46397	94	17	and	and	CCONJ
bibechana-46397	94	18	m.	m.	PROPN
bibechana-46397	94	19	s.	s.	PROPN
bibechana-46397	94	20	strano	strano	PROPN
bibechana-46397	94	21	,	,	PUNCT
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bibechana-46397	94	23	nanotech	nanotech	PROPN
bibechana-46397	94	24	.	.	PROPN
bibechana-46397	94	25	,	,	PUNCT
bibechana-46397	94	26	699(2012)712	699(2012)712	NOUN
bibechana-46397	94	27	.	.	PUNCT
bibechana-46397	95	1	3	3	X
bibechana-46397	95	2	.	.	X
bibechana-46397	95	3	c.	c.	PROPN
bibechana-46397	95	4	m.	m.	PROPN
bibechana-46397	95	5	fang	fang	PROPN
bibechana-46397	95	6	,	,	PUNCT
bibechana-46397	95	7	r.	r.	PROPN
bibechana-46397	95	8	a.	a.	PROPN
bibechana-46397	95	9	de	de	PROPN
bibechana-46397	95	10	groot	groot	PROPN
bibechana-46397	95	11	and	and	CCONJ
bibechana-46397	95	12	c.	c.	PROPN
bibechana-46397	95	13	hass	hass	PROPN
bibechana-46397	95	14	,	,	PUNCT
bibechana-46397	95	15	phys	phy	NOUN
bibechana-46397	95	16	.	.	PUNCT
bibechana-46397	96	1	rev	rev	PROPN
bibechana-46397	96	2	.	.	PROPN
bibechana-46397	96	3	b56	b56	PROPN
bibechana-46397	96	4	(	(	PUNCT
bibechana-46397	96	5	1997)4455	1997)4455	NOUN
bibechana-46397	96	6	.	.	PUNCT
bibechana-46397	97	1	4	4	X
bibechana-46397	97	2	.	.	X
bibechana-46397	97	3	vidit	vidit	PROPN
bibechana-46397	97	4	b.	b.	PROPN
bibechana-46397	97	5	zala	zala	PROPN
bibechana-46397	97	6	,	,	PUNCT
bibechana-46397	97	7	a.	a.	NOUN
bibechana-46397	97	8	m.	m.	PROPN
bibechana-46397	97	9	vora	vora	PROPN
bibechana-46397	97	10	and	and	CCONJ
bibechana-46397	97	11	p.	p.	PROPN
bibechana-46397	97	12	n.	n.	PROPN
bibechana-46397	97	13	gajjar	gajjar	PROPN
bibechana-46397	97	14	,	,	PUNCT
bibechana-46397	97	15	aip	aip	PROPN
bibechana-46397	97	16	conf	conf	PROPN
bibechana-46397	97	17	.	.	PUNCT
bibechana-46397	98	1	proc	proc	PROPN
bibechana-46397	98	2	.	.	PUNCT
bibechana-46397	99	1	2100	2100	NUM
bibechana-46397	99	2	(	(	PUNCT
bibechana-46397	99	3	2019)020027	2019)020027	NUM
bibechana-46397	99	4	.	.	PUNCT
bibechana-46397	100	1	5	5	X
bibechana-46397	100	2	.	.	PUNCT
bibechana-46397	100	3	h.	h.	PROPN
bibechana-46397	100	4	s.	s.	PROPN
bibechana-46397	100	5	patel	patel	PROPN
bibechana-46397	100	6	,	,	PUNCT
bibechana-46397	100	7	v.	v.	ADP
bibechana-46397	100	8	a.	a.	NOUN
bibechana-46397	100	9	dabhi	dabhi	PROPN
bibechana-46397	100	10	,	,	PUNCT
bibechana-46397	100	11	a.	a.	NOUN
bibechana-46397	100	12	m.	m.	PROPN
bibechana-46397	100	13	vora	vora	PROPN
bibechana-46397	100	14	,	,	PUNCT
bibechana-46397	100	15	in	in	ADP
bibechana-46397	100	16	:	:	PUNCT
bibechana-46397	100	17	d.	d.	PROPN
bibechana-46397	100	18	singh	singh	PROPN
bibechana-46397	100	19	,	,	PUNCT
bibechana-46397	100	20	s.	s.	PROPN
bibechana-46397	100	21	das	das	PROPN
bibechana-46397	100	22	,	,	PUNCT
bibechana-46397	100	23	a.	a.	NOUN
bibechana-46397	100	24	materny	materny	PROPN
bibechana-46397	100	25	(	(	PUNCT
bibechana-46397	100	26	eds	ed	NOUN
bibechana-46397	100	27	.	.	PUNCT
bibechana-46397	100	28	)	)	PUNCT
bibechana-46397	100	29	,	,	PUNCT
bibechana-46397	100	30	advances	advance	VERB
bibechana-46397	100	31	in	in	ADP
bibechana-46397	100	32	spectroscopy	spectroscopy	NOUN
bibechana-46397	100	33	-	-	PUNCT
bibechana-46397	100	34	molecules	molecule	NOUN
bibechana-46397	100	35	to	to	ADP
bibechana-46397	100	36	materials	material	NOUN
bibechana-46397	100	37	,	,	PUNCT
bibechana-46397	100	38	springer	springer	NOUN
bibechana-46397	100	39	proc	proc	NOUN
bibechana-46397	100	40	.	.	PUNCT
bibechana-46397	101	1	phys	phy	NOUN
bibechana-46397	101	2	.	.	PUNCT
bibechana-46397	102	1	236	236	NUM
bibechana-46397	102	2	(	(	PUNCT
bibechana-46397	102	3	2019)389	2019)389	NUM
bibechana-46397	102	4	.	.	NOUN
bibechana-46397	103	1	6	6	NUM
bibechana-46397	103	2	.	.	X
bibechana-46397	104	1	v.	v.	ADP
bibechana-46397	104	2	a.	a.	PROPN
bibechana-46397	104	3	dabhi	dabhi	PROPN
bibechana-46397	104	4	,	,	PUNCT
bibechana-46397	104	5	h.	h.	PROPN
bibechana-46397	104	6	s.	s.	PROPN
bibechana-46397	104	7	patel	patel	PROPN
bibechana-46397	104	8	,	,	PUNCT
bibechana-46397	104	9	a.	a.	PROPN
bibechana-46397	104	10	m.	m.	PROPN
bibechana-46397	104	11	vora	vora	PROPN
bibechana-46397	104	12	,	,	PUNCT
bibechana-46397	104	13	aip	aip	PROPN
bibechana-46397	104	14	conf	conf	PROPN
bibechana-46397	104	15	.	.	PUNCT
bibechana-46397	105	1	proc	proc	PROPN
bibechana-46397	105	2	.	.	PUNCT
bibechana-46397	106	1	2224	2224	NUM
bibechana-46397	106	2	(	(	PUNCT
bibechana-46397	106	3	2020	2020	NUM
bibechana-46397	106	4	)	)	PUNCT
bibechana-46397	106	5	030003	030003	NUM
bibechana-46397	106	6	.	.	PUNCT
bibechana-46397	107	1	7	7	X
bibechana-46397	107	2	.	.	PUNCT
bibechana-46397	107	3	h.	h.	PROPN
bibechana-46397	107	4	s.	s.	PROPN
bibechana-46397	107	5	patel	patel	PROPN
bibechana-46397	107	6	,	,	PUNCT
bibechana-46397	107	7	v.	v.	ADP
bibechana-46397	107	8	a.	a.	NOUN
bibechana-46397	107	9	dabhi	dabhi	PROPN
bibechana-46397	107	10	and	and	CCONJ
bibechana-46397	107	11	a.	a.	NOUN
bibechana-46397	107	12	m.	m.	PROPN
bibechana-46397	107	13	vora	vora	PROPN
bibechana-46397	107	14	,	,	PUNCT
bibechana-46397	107	15	aip	aip	PROPN
bibechana-46397	107	16	conf	conf	PROPN
bibechana-46397	107	17	.	.	PUNCT
bibechana-46397	108	1	proc	proc	PROPN
bibechana-46397	108	2	.	.	PUNCT
bibechana-46397	109	1	2224(2020)030006	2224(2020)030006	NUM
bibechana-46397	109	2	.	.	PUNCT
bibechana-46397	110	1	8	8	X
bibechana-46397	110	2	.	.	X
bibechana-46397	111	1	v.	v.	PROPN
bibechana-46397	111	2	b.	b.	PROPN
bibechana-46397	111	3	parmar	parmar	PROPN
bibechana-46397	111	4	and	and	CCONJ
bibechana-46397	111	5	a.	a.	PROPN
bibechana-46397	111	6	m.	m.	PROPN
bibechana-46397	111	7	vora	vora	PROPN
bibechana-46397	111	8	,	,	PUNCT
bibechana-46397	111	9	east	east	PROPN
bibechana-46397	111	10	eur	eur	PROPN
bibechana-46397	111	11	.	.	PUNCT
bibechana-46397	112	1	j.	j.	PROPN
bibechana-46397	112	2	phys	phys	PROPN
bibechana-46397	112	3	.	.	PUNCT
bibechana-46397	113	1	1(2021)93	1(2021)93	NUM
bibechana-46397	113	2	.	.	PUNCT
bibechana-46397	114	1	9	9	X
bibechana-46397	114	2	.	.	X
bibechana-46397	114	3	v.	v.	PROPN
bibechana-46397	114	4	b.	b.	PROPN
bibechana-46397	114	5	parmar	parmar	PROPN
bibechana-46397	114	6	and	and	CCONJ
bibechana-46397	114	7	a.	a.	PROPN
bibechana-46397	114	8	m.	m.	PROPN
bibechana-46397	114	9	vora	vora	PROPN
bibechana-46397	114	10	,	,	PUNCT
bibechana-46397	114	11	eurasian	eurasian	PROPN
bibechana-46397	114	12	j.	j.	PROPN
bibechana-46397	114	13	phys	phys	PROPN
bibechana-46397	114	14	.	.	PUNCT
bibechana-46397	115	1	fun	fun	PROPN
bibechana-46397	115	2	.	.	PUNCT
bibechana-46397	116	1	mater	mater	NOUN
bibechana-46397	116	2	.	.	PUNCT
bibechana-46397	117	1	5(2021)116	5(2021)116	X
bibechana-46397	117	2	.	.	PUNCT
bibechana-46397	118	1	10	10	NUM
bibechana-46397	118	2	.	.	PUNCT
bibechana-46397	119	1	v.	v.	PROPN
bibechana-46397	119	2	b.	b.	PROPN
bibechana-46397	119	3	parmar	parmar	PROPN
bibechana-46397	119	4	and	and	CCONJ
bibechana-46397	119	5	a.	a.	PROPN
bibechana-46397	119	6	m.	m.	PROPN
bibechana-46397	119	7	vora	vora	PROPN
bibechana-46397	119	8	,	,	PUNCT
bibechana-46397	119	9	kcg	kcg	PROPN
bibechana-46397	119	10	e	e	PROPN
bibechana-46397	119	11	journal	journal	NOUN
bibechana-46397	119	12	of	of	ADP
bibechana-46397	119	13	sci	sci	PROPN
bibechana-46397	119	14	.	.	PUNCT
bibechana-46397	120	1	30(2021)1	30(2021)1	NUM
bibechana-46397	120	2	.	.	NOUN
bibechana-46397	121	1	11	11	NUM
bibechana-46397	121	2	.	.	X
bibechana-46397	122	1	v.	v.	PROPN
bibechana-46397	122	2	b.	b.	PROPN
bibechana-46397	122	3	parmar	parmar	PROPN
bibechana-46397	122	4	and	and	CCONJ
bibechana-46397	122	5	a.	a.	PROPN
bibechana-46397	122	6	m.	m.	PROPN
bibechana-46397	122	7	vora	vora	PROPN
bibechana-46397	122	8	,	,	PUNCT
bibechana-46397	122	9	armenian	armenian	PROPN
bibechana-46397	122	10	j.	j.	PROPN
bibechana-46397	122	11	phys.14(2021)37	phys.14(2021)37	PROPN
bibechana-46397	122	12	.	.	PUNCT
bibechana-46397	123	1	12	12	NUM
bibechana-46397	123	2	.	.	PUNCT
bibechana-46397	123	3	r.	r.	PROPN
bibechana-46397	123	4	h.	h.	PROPN
bibechana-46397	123	5	friend	friend	PROPN
bibechana-46397	123	6	and	and	CCONJ
bibechana-46397	123	7	a.	a.	PROPN
bibechana-46397	123	8	d.	d.	PROPN
bibechana-46397	123	9	yoffe	yoffe	PROPN
bibechana-46397	123	10	,	,	PUNCT
bibechana-46397	123	11	adv	adv	PROPN
bibechana-46397	123	12	.	.	PUNCT
bibechana-46397	123	13	phys	phys	PROPN
bibechana-46397	123	14	.	.	PUNCT
bibechana-46397	123	15	,	,	PUNCT
bibechana-46397	123	16	36(1987	36(1987	NUM
bibechana-46397	123	17	)	)	PUNCT
bibechana-46397	123	18	1	1	NUM
bibechana-46397	123	19	.	.	NOUN
bibechana-46397	123	20	13	13	NUM
bibechana-46397	123	21	.	.	PUNCT
bibechana-46397	124	1	j.	j.	PROPN
bibechana-46397	124	2	a.	a.	PROPN
bibechana-46397	124	3	wilson	wilson	PROPN
bibechana-46397	124	4	and	and	CCONJ
bibechana-46397	124	5	a.	a.	PROPN
bibechana-46397	124	6	d.	d.	PROPN
bibechana-46397	124	7	yoffe	yoffe	PROPN
bibechana-46397	124	8	,	,	PUNCT
bibechana-46397	124	9	adv	adv	PROPN
bibechana-46397	124	10	.	.	PUNCT
bibechana-46397	124	11	phys	phys	PROPN
bibechana-46397	124	12	,	,	PUNCT
bibechana-46397	124	13	18(1969)193	18(1969)193	NOUN
bibechana-46397	124	14	.	.	PUNCT
bibechana-46397	125	1	14	14	NUM
bibechana-46397	125	2	.	.	PUNCT
bibechana-46397	125	3	n.	n.	PROPN
bibechana-46397	125	4	suzuki	suzuki	PROPN
bibechana-46397	125	5	,	,	PUNCT
bibechana-46397	125	6	y.	y.	PROPN
bibechana-46397	125	7	yamasaki	yamasaki	PROPN
bibechana-46397	125	8	and	and	CCONJ
bibechana-46397	125	9	k.	k.	PROPN
bibechana-46397	125	10	motizuki	motizuki	PROPN
bibechana-46397	125	11	,	,	PUNCT
bibechana-46397	125	12	j	j	PROPN
bibechana-46397	125	13	de	de	X
bibechana-46397	125	14	physique	physique	PROPN
bibechana-46397	125	15	.	.	PUNCT
bibechana-46397	126	1	solid	solid	ADJ
bibechana-46397	126	2	state	state	NOUN
bibechana-46397	126	3	phys	phy	NOUN
bibechana-46397	126	4	.	.	PUNCT
bibechana-46397	127	1	c	c	X
bibechana-46397	127	2	,	,	PUNCT
bibechana-46397	127	3	8(1998)49201	8(1998)49201	NUM
bibechana-46397	127	4	.	.	PUNCT
bibechana-46397	128	1	15	15	NUM
bibechana-46397	128	2	.	.	PUNCT
bibechana-46397	129	1	t.	t.	PROPN
bibechana-46397	129	2	yamasaki	yamasaki	PROPN
bibechana-46397	129	3	,	,	PUNCT
bibechana-46397	129	4	n.	n.	PROPN
bibechana-46397	129	5	suzuki	suzuki	PROPN
bibechana-46397	129	6	and	and	CCONJ
bibechana-46397	129	7	k.	k.	PROPN
bibechana-46397	129	8	motizuki	motizuki	PROPN
bibechana-46397	129	9	,	,	PUNCT
bibechana-46397	129	10	j.	j.	PROPN
bibechana-46397	129	11	phys	phys	PROPN
bibechana-46397	129	12	.	.	PUNCT
bibechana-46397	130	1	c	c	X
bibechana-46397	130	2	:	:	PUNCT
bibechana-46397	130	3	solid	solid	ADJ
bibechana-46397	130	4	state	state	NOUN
bibechana-46397	130	5	phys	phy	NOUN
bibechana-46397	130	6	.	.	PUNCT
bibechana-46397	131	1	20(1987	20(1987	NUM
bibechana-46397	131	2	)	)	PUNCT
bibechana-46397	131	3	395	395	NUM
bibechana-46397	131	4	.	.	NUM
bibechana-46397	132	1	16	16	NUM
bibechana-46397	132	2	.	.	PUNCT
bibechana-46397	133	1	t.	t.	PROPN
bibechana-46397	133	2	matssushita	matssushita	PROPN
bibechana-46397	133	3	,	,	PUNCT
bibechana-46397	133	4	s.	s.	PROPN
bibechana-46397	133	5	suga	suga	PROPN
bibechana-46397	133	6	and	and	CCONJ
bibechana-46397	133	7	a.	a.	NOUN
bibechana-46397	133	8	kimuta	kimuta	PROPN
bibechana-46397	133	9	,	,	PUNCT
bibechana-46397	133	10	phys	phy	NOUN
bibechana-46397	133	11	.	.	PUNCT
bibechana-46397	134	1	rev	rev	PROPN
bibechana-46397	134	2	.	.	PROPN
bibechana-46397	134	3	b.	b.	PROPN
bibechana-46397	134	4	60(1999)1678	60(1999)1678	PROPN
bibechana-46397	134	5	.	.	PROPN
bibechana-46397	135	1	17	17	NUM
bibechana-46397	135	2	.	.	PUNCT
bibechana-46397	136	1	y.	y.	PROPN
bibechana-46397	136	2	ueda	ueda	PROPN
bibechana-46397	136	3	,	,	PUNCT
bibechana-46397	136	4	h.	h.	PROPN
bibechana-46397	136	5	negishi	negishi	PROPN
bibechana-46397	136	6	,	,	PUNCT
bibechana-46397	136	7	m.	m.	NOUN
bibechana-46397	136	8	koyana	koyana	PROPN
bibechana-46397	136	9	and	and	CCONJ
bibechana-46397	136	10	m.	m.	PROPN
bibechana-46397	136	11	inoue	inoue	PROPN
bibechana-46397	136	12	,	,	PUNCT
bibechana-46397	136	13	solid	solid	ADJ
bibechana-46397	136	14	state	state	NOUN
bibechana-46397	136	15	comm	comm	NOUN
bibechana-46397	136	16	.	.	PUNCT
bibechana-46397	137	1	57(1986)839	57(1986)839	PROPN
bibechana-46397	137	2	.	.	PUNCT
bibechana-46397	138	1	18	18	NUM
bibechana-46397	138	2	.	.	X
bibechana-46397	138	3	y	y	PROPN
bibechana-46397	138	4	-	-	PUNCT
bibechana-46397	138	5	s.	s.	PROPN
bibechana-46397	138	6	kim	kim	PROPN
bibechana-46397	138	7	,	,	PUNCT
bibechana-46397	138	8	j.	j.	PROPN
bibechana-46397	138	9	li	li	PROPN
bibechana-46397	138	10	,	,	PUNCT
bibechana-46397	138	11	i.	i.	PROPN
bibechana-46397	138	12	tanaka	tanaka	PROPN
bibechana-46397	138	13	,	,	PUNCT
bibechana-46397	138	14	y.	y.	PROPN
bibechana-46397	138	15	koyama	koyama	PROPN
bibechana-46397	138	16	and	and	CCONJ
bibechana-46397	138	17	h.	h.	PROPN
bibechana-46397	138	18	adachi	adachi	PROPN
bibechana-46397	138	19	,	,	PUNCT
bibechana-46397	138	20	mat	mat	PROPN
bibechana-46397	138	21	.	.	PUNCT
bibechana-46397	138	22	trans	trans	PROPN
bibechana-46397	138	23	.	.	PUNCT
bibechana-46397	139	1	jim	jim	PROPN
bibechana-46397	139	2	,	,	PUNCT
bibechana-46397	139	3	8(2000)1088	8(2000)1088	NUM
bibechana-46397	139	4	.	.	PUNCT
bibechana-46397	139	5	19	19	NUM
bibechana-46397	139	6	.	.	PUNCT
bibechana-46397	139	7	y.	y.	PROPN
bibechana-46397	139	8	sharma	sharma	PROPN
bibechana-46397	139	9	,	,	PUNCT
bibechana-46397	139	10	s.	s.	PROPN
bibechana-46397	139	11	shukla	shukla	PROPN
bibechana-46397	139	12	,	,	PUNCT
bibechana-46397	139	13	s.	s.	PROPN
bibechana-46397	139	14	dwivedi	dwivedi	PROPN
bibechana-46397	139	15	and	and	CCONJ
bibechana-46397	139	16	r.	r.	PROPN
bibechana-46397	139	17	sharma	sharma	PROPN
bibechana-46397	139	18	,	,	PUNCT
bibechana-46397	139	19	adv	adv	PROPN
bibechana-46397	139	20	.	.	PUNCT
bibechana-46397	139	21	mater	mater	PROPN
bibechana-46397	139	22	.	.	PUNCT
bibechana-46397	140	1	lett	lett	PROPN
bibechana-46397	140	2	,	,	PUNCT
bibechana-46397	140	3	6(2015)294	6(2015)294	PROPN
bibechana-46397	140	4	.	.	PUNCT
bibechana-46397	141	1	20	20	NUM
bibechana-46397	141	2	.	.	PUNCT
bibechana-46397	142	1	p.	p.	NOUN
bibechana-46397	142	2	giannozzi	giannozzi	NOUN
bibechana-46397	142	3	,	,	PUNCT
bibechana-46397	142	4	s.	s.	PROPN
bibechana-46397	142	5	baroni	baroni	PROPN
bibechana-46397	142	6	,	,	PUNCT
bibechana-46397	142	7	n.	n.	PROPN
bibechana-46397	142	8	bonini	bonini	PROPN
bibechana-46397	142	9	,	,	PUNCT
bibechana-46397	142	10	m.	m.	NOUN
bibechana-46397	142	11	calandra	calandra	PROPN
bibechana-46397	142	12	,	,	PUNCT
bibechana-46397	142	13	r.	r.	PROPN
bibechana-46397	142	14	car	car	PROPN
bibechana-46397	142	15	,	,	PUNCT
bibechana-46397	142	16	c.	c.	PROPN
bibechana-46397	142	17	cavazzoni	cavazzoni	PROPN
bibechana-46397	142	18	,	,	PUNCT
bibechana-46397	142	19	d.	d.	PROPN
bibechana-46397	142	20	ceresoli	ceresoli	PROPN
bibechana-46397	142	21	,	,	PUNCT
bibechana-46397	142	22	g.chiarotti	g.chiarotti	PROPN
bibechana-46397	142	23	,	,	PUNCT
bibechana-46397	142	24	m.cococcioni	m.cococcioni	INTJ
bibechana-46397	142	25	,	,	PUNCT
bibechana-46397	142	26	i.	i.	PROPN
bibechana-46397	142	27	dabo	dabo	PROPN
bibechana-46397	142	28	and	and	CCONJ
bibechana-46397	142	29	a.	a.	PROPN
bibechana-46397	142	30	dal	dal	PROPN
bibechana-46397	142	31	corso	corso	PROPN
bibechana-46397	142	32	,	,	PUNCT
bibechana-46397	142	33	j.	j.	PROPN
bibechana-46397	142	34	phys	phys	PROPN
bibechana-46397	142	35	.	.	PUNCT
bibechana-46397	143	1	condens	condens	PROPN
bibechana-46397	143	2	.	.	PUNCT
bibechana-46397	144	1	matter	matter	NOUN
bibechana-46397	144	2	.	.	PUNCT
bibechana-46397	145	1	21	21	NUM
bibechana-46397	145	2	(	(	PUNCT
bibechana-46397	145	3	2009)395502	2009)395502	NOUN
bibechana-46397	145	4	.	.	PUNCT
bibechana-46397	146	1	21	21	NUM
bibechana-46397	146	2	.	.	PUNCT
bibechana-46397	147	1	http://nisihara.wixsite.com/burai	http://nisihara.wixsite.com/burai	NUM
bibechana-46397	147	2	22	22	NUM
bibechana-46397	147	3	.	.	PUNCT
bibechana-46397	148	1	j.	j.	PROPN
bibechana-46397	148	2	p.	p.	PROPN
bibechana-46397	148	3	perdew	perdew	PROPN
bibechana-46397	148	4	,	,	PUNCT
bibechana-46397	148	5	j.	j.	PROPN
bibechana-46397	148	6	chevary	chevary	PROPN
bibechana-46397	148	7	,	,	PUNCT
bibechana-46397	148	8	s.	s.	PROPN
bibechana-46397	148	9	vosko	vosko	PROPN
bibechana-46397	148	10	,	,	PUNCT
bibechana-46397	148	11	k.	k.	PROPN
bibechana-46397	148	12	jackson	jackson	PROPN
bibechana-46397	148	13	,	,	PUNCT
bibechana-46397	148	14	m.	m.	NOUN
bibechana-46397	148	15	perderson	perderson	PROPN
bibechana-46397	148	16	,	,	PUNCT
bibechana-46397	148	17	d.	d.	PROPN
bibechana-46397	148	18	singh	singh	PROPN
bibechana-46397	148	19	and	and	CCONJ
bibechana-46397	148	20	c.	c.	PROPN
bibechana-46397	148	21	fiolhais	fiolhais	PROPN
bibechana-46397	148	22	,	,	PUNCT
bibechana-46397	148	23	phys	phys	PROPN
bibechana-46397	148	24	.	.	PUNCT
bibechana-46397	148	25	rev	rev	PROPN
bibechana-46397	148	26	.	.	PROPN
bibechana-46397	148	27	b48	b48	PROPN
bibechana-46397	148	28	(	(	PUNCT
bibechana-46397	148	29	1993)4978	1993)4978	NUM
bibechana-46397	148	30	.	.	PUNCT
bibechana-46397	148	31	23	23	NUM
bibechana-46397	148	32	.	.	PUNCT
bibechana-46397	149	1	j.	j.	PROPN
bibechana-46397	149	2	p.	p.	PROPN
bibechana-46397	149	3	perdew	perdew	PROPN
bibechana-46397	149	4	,	,	PUNCT
bibechana-46397	149	5	k.	k.	PROPN
bibechana-46397	149	6	burke	burke	PROPN
bibechana-46397	149	7	and	and	CCONJ
bibechana-46397	149	8	m.	m.	NOUN
bibechana-46397	149	9	ernzerhof	ernzerhof	NOUN
bibechana-46397	149	10	,	,	PUNCT
bibechana-46397	149	11	phys	phy	NOUN
bibechana-46397	149	12	.	.	PUNCT
bibechana-46397	150	1	rev	rev	PROPN
bibechana-46397	150	2	.	.	PROPN
bibechana-46397	150	3	lett	lett	PROPN
bibechana-46397	150	4	.	.	PUNCT
bibechana-46397	151	1	77(1996)3865	77(1996)3865	NUM
bibechana-46397	151	2	24	24	NUM
bibechana-46397	151	3	.	.	PUNCT
bibechana-46397	151	4	http://www.quantum	http://www.quantum	PROPN
bibechana-46397	151	5	espresso.org/pseudopotential	espresso.org/pseudopotential	PROPN
bibechana-46397	151	6	.	.	PUNCT
bibechana-46397	152	1	25	25	NUM
bibechana-46397	152	2	.	.	PUNCT
bibechana-46397	152	3	q.	q.	PROPN
bibechana-46397	152	4	bin	bin	PROPN
bibechana-46397	152	5	,	,	PUNCT
bibechana-46397	152	6	z.	z.	PROPN
bibechana-46397	152	7	guo	guo	PROPN
bibechana-46397	152	8	-	-	PUNCT
bibechana-46397	152	9	hua	hua	PROPN
bibechana-46397	152	10	,	,	PUNCT
bibechana-46397	152	11	li	li	PROPN
bibechana-46397	152	12	di	di	PROPN
bibechana-46397	152	13	,	,	PUNCT
bibechana-46397	152	14	w.	w.	PROPN
bibechana-46397	152	15	jiang	jiang	PROPN
bibechana-46397	152	16	long	long	PROPN
bibechana-46397	152	17	,	,	PUNCT
bibechana-46397	152	18	q.	q.	PROPN
bibechana-46397	152	19	xiao	xiao	PROPN
bibechana-46397	152	20	-	-	PROPN
bibechana-46397	152	21	ying	ying	PROPN
bibechana-46397	152	22	,	,	PUNCT
bibechana-46397	152	23	z.	z.	PROPN
bibechana-46397	152	24	zhi	zhi	PROPN
bibechana-46397	152	25	,	,	PUNCT
bibechana-46397	152	26	chinese	chinese	ADJ
bibechana-46397	152	27	phys	phy	NOUN
bibechana-46397	152	28	.	.	PUNCT
bibechana-46397	153	1	lett	lett	PROPN
bibechana-46397	153	2	.	.	PROPN
bibechana-46397	154	1	24	24	NUM
bibechana-46397	154	2	(	(	PUNCT
bibechana-46397	154	3	2007	2007	NUM
bibechana-46397	154	4	)	)	PUNCT
bibechana-46397	154	5	1050	1050	NUM
bibechana-46397	154	6	.	.	PUNCT
bibechana-46397	155	1	http://nisihara.wixsite.com/burai	http://nisihara.wixsite.com/burai	PROPN
bibechana-46397	155	2	vandana	vandana	PROPN
bibechana-46397	155	3	b.	b.	PROPN
bibechana-46397	155	4	parmar	parmar	PROPN
bibechana-46397	155	5	*	*	PROPN
bibechana-46397	155	6	,	,	PUNCT
bibechana-46397	155	7	aditya	aditya	PROPN
bibechana-46397	155	8	m.	m.	PROPN
bibechana-46397	155	9	vora+	vora+	PROPN
bibechana-46397	155	10	department	department	PROPN
bibechana-46397	155	11	of	of	ADP
bibechana-46397	155	12	physics	physics	PROPN
bibechana-46397	155	13	,	,	PUNCT
bibechana-46397	155	14	university	university	NOUN
bibechana-46397	155	15	school	school	NOUN
bibechana-46397	155	16	of	of	ADP
bibechana-46397	155	17	sciences	sciences	PROPN
bibechana-46397	155	18	,	,	PUNCT
bibechana-46397	155	19	gujarat	gujarat	PROPN
bibechana-46397	155	20	university	university	NOUN
bibechana-46397	155	21	,	,	PUNCT
bibechana-46397	155	22	navrangpura	navrangpura	PROPN
bibechana-46397	155	23	,	,	PUNCT
bibechana-46397	155	24	ahmedabad	ahmedabad	PROPN
bibechana-46397	155	25	380	380	NUM
bibechana-46397	155	26	009	009	NUM
bibechana-46397	155	27	,	,	PUNCT
bibechana-46397	155	28	gujarat	gujarat	PROPN
bibechana-46397	155	29	,	,	PUNCT
bibechana-46397	155	30	india	india	PROPN
bibechana-46397	155	31	1	1	NUM
bibechana-46397	155	32	.	.	PUNCT
bibechana-46397	155	33	introduction	introduction	NOUN
bibechana-46397	155	34	2	2	NUM
bibechana-46397	155	35	.	.	PUNCT
bibechana-46397	155	36	computational	computational	ADJ
bibechana-46397	155	37	methodology	methodology	NOUN
bibechana-46397	155	38	3	3	NUM
bibechana-46397	155	39	.	.	NOUN
bibechana-46397	155	40	results	result	NOUN
bibechana-46397	155	41	and	and	CCONJ
bibechana-46397	155	42	discussion	discussion	NOUN
bibechana-46397	155	43	3.2	3.2	NUM
bibechana-46397	155	44	electronic	electronic	ADJ
bibechana-46397	155	45	properties	property	NOUN
bibechana-46397	155	46	3.3	3.3	NUM
bibechana-46397	155	47	band	band	NOUN
bibechana-46397	155	48	structure	structure	NOUN
bibechana-46397	155	49	3.4	3.4	NUM
bibechana-46397	155	50	density	density	NOUN
bibechana-46397	155	51	of	of	ADP
bibechana-46397	155	52	states	state	NOUN
bibechana-46397	155	53	(	(	PUNCT
bibechana-46397	155	54	dos	dos	PROPN
bibechana-46397	155	55	)	)	PUNCT
bibechana-46397	155	56	acknowledgment	acknowledgment	NOUN
bibechana-46397	155	57	references	reference	NOUN