Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals

Computational Materials Science

Volumn 74, Issue , 2013, Pages 33-39

  Wadnerkar, Nitin ^a   English, Niall J ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

Bismuth vanadate; Density functional theory; Electronic structure; Hybrid DFT; Optical properties

Indexed keywords

BAND-GAP SEMICONDUCTORS; BISMUTH VANADATES; CONDUCTION-BAND MINIMUM; DENSITY-OF-STATES ANALYSIS; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID DFT; PREDICTIVE PERFORMANCE; QUANTITATIVE AGREEMENT;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES;

BISMUTH;

EID: 84876109629     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.03.015     Document Type: Article

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