An efficient method of DFT/LDA band-gap correction

Computer Physics Communications

Volumn 184, Issue 12, 2013, Pages 2680-2683

  Scharoch, Pawel ^a   Winiarski, Maciej ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

Author keywords

DFT LDA band gap; Electron localization; Semiconductor alloy; VCA

Indexed keywords

DFT/LDA BAND-GAP; ELECTRON LOCALIZATIONS; ELECTRONIC EXCITATION; LOCALIZATION PARAMETERS; NUMERICAL EXPERIMENTS; SEMI-CONDUCTOR ALLOYS; SEMICONDUCTING ALLOYS; VCA;

EIGENVALUES AND EIGENFUNCTIONS; GALLIUM ALLOYS;

ENERGY GAP;

EID: 84888287936     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2013.07.008     Document Type: Article

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