Open AccessFirst-principles studies of electronic, transport and bulk properties of pyrite FeS2
Author(s) -
Dipendra Banjara,
Yuriy Malozovsky,
Lashounda Franklin,
Diola Bagayoko
Publication year - 2018
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.4996551
Subject(s) - linear combination of atomic orbitals , bulk modulus , local density approximation , band gap , atomic orbital , electronic structure , chemistry , formalism (music) , density of states , lattice constant , pyrite , condensed matter physics , atomic physics , electron , physics , mineralogy , quantum mechanics , art , musical , diffraction , visual arts
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