Open AccessEffects of composition, crystal structure, and surface orientation on band alignment of divalent metal oxides: A first-principles study
Author(s) -
Yoyo Hinuma,
Yu Kumagai,
Isao Tanaka,
Fumiyasu Oba
Publication year - 2018
Publication title -
physical review materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.439
H-Index - 42
eISSN - 2476-0455
pISSN - 2475-9953
DOI - 10.1103/physrevmaterials.2.124603
Subject(s) - materials science , density functional theory , band gap , wurtzite crystal structure , crystal structure , electronic structure , electronic band structure , metal , valence (chemistry) , valence electron , crystal (programming language) , bulk modulus , chemical physics , crystallography , condensed matter physics , computational chemistry , electron , chemistry , zinc , physics , metallurgy , optoelectronics , organic chemistry , quantum mechanics , computer science , programming language , composite material