Open AccessBaZrSe3: Ab initio study of anion substitution for bandgap tuning in a chalcogenide material
Author(s) -
Marc Ong,
David Guzmán,
Quinn Campbell,
Ismaïla Dabo,
Radi A. Jishi
Publication year - 2019
Publication title -
journal of applied physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.699
H-Index - 319
eISSN - 1089-7550
pISSN - 0021-8979
DOI - 10.1063/1.5097940
Subject(s) - chalcogenide , band gap , ab initio , materials science , ab initio quantum chemistry methods , solar cell , perovskite (structure) , ion , substitution (logic) , absorption (acoustics) , chemical physics , computational chemistry , phonon , optoelectronics , molecular physics , chemistry , crystallography , condensed matter physics , molecule , physics , computer science , organic chemistry , programming language , composite material