Open AccessAn ab initio Study on the Mechanical Stability, Spin-Dependent Electronic Properties, Molecular Orbital Predictions, and Optical Features of Antiperovskite A3InN (A = Co, Ni)
Author(s) -
A.M.M. Tanveer Karim,
Md Jubair,
M. Nuruzzaman,
M.A.K. Zilani
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.1c07039
Subject(s) - condensed matter physics , density functional theory , fermi level , molecular orbital , antiperovskite , ab initio , optical conductivity , materials science , chemistry , molecular physics , physics , electron , computational chemistry , nitride , nanotechnology , organic chemistry , layer (electronics) , quantum mechanics , molecule
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