Open AccessAb initio investigations of structural, elastic, electronic and optical properties of the fluoroperovskite TIXF3 (X=Ca, Cd, Hg, and Mg) compounds
Author(s) -
Sajid Khan,
Shams u Zaman,
Rashid Ahmad,
Nasir Mehmood,
Muhammad Shoaib Arif,
H. J. Kim
Publication year - 2019
Publication title -
materials research express
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.383
H-Index - 35
ISSN - 2053-1591
DOI - 10.1088/2053-1591/ab5e37
Subject(s) - optical conductivity , density functional theory , ab initio , ab initio quantum chemistry methods , refractive index , chemistry , electronic band structure , condensed matter physics , electronic structure , bulk modulus , local density approximation , density of states , band gap , materials science , computational chemistry , physics , molecule , optoelectronics , organic chemistry
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