Open AccessFinding the order in complexity: The electronic structure of 14-1-11 zintl compounds
Author(s) -
Yukun Liu,
Michael Y. Toriyama,
Zizhen Cai,
Mingguo Zhao,
Fei Liu,
G. Jeffrey Snyder
Publication year - 2021
Publication title -
applied physics letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.182
H-Index - 442
eISSN - 1077-3118
pISSN - 0003-6951
DOI - 10.1063/5.0068386
Subject(s) - antibonding molecular orbital , electronic structure , molecular orbital , band gap , electronic band structure , atomic orbital , valence (chemistry) , chemical bond , crystallography , chemistry , chalcogen , chemical physics , computational chemistry , direct and indirect band gaps , localized molecular orbitals , materials science , linear combination of atomic orbitals , density functional theory , condensed matter physics , physics , molecule , quantum mechanics , electron , basis set , organic chemistry