Open AccessFirst principles calculation to investigate the structural, electronic, elastic, mechanical, and optical properties of K2NiP2 ternary compound
Author(s) -
Mwende Mbilo,
Robinson Musembi
Publication year - 2022
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/5.0118809
Subject(s) - density functional theory , ternary operation , local density approximation , materials science , valence (chemistry) , refractive index , ionic bonding , band gap , electronic structure , condensed matter physics , molecular physics , thermodynamics , computational chemistry , chemistry , optoelectronics , physics , ion , organic chemistry , computer science , programming language
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