Effects of composition, crystal structure, and surface orientation on band alignment of divalent metal oxides: A first-principles study | Zendy

Yoyo Hinuma | Zendy; Yu Kumagai | Zendy; Isao Tanaka | Zendy; Fumiyasu Oba | Zendy

Open Access

Effects 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

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