A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

Journal of Physics and Chemistry of Solids

Volumn 74, Issue 1, 2013, Pages 45-50

  Saniz, R ^a   Xu, Y ^a,b   Matsubara, M ^a   Amini, M N ^a   Dixit, H ^a   Lamoen, D ^a   Partoens, B ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b HUNAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

A. Electronic materials; A. Optical materials; C. Ab initio calculations; D. Defects; D. Electronic structure

Indexed keywords

AB INITIO CALCULATIONS; BAND-GAP PROBLEM; CHARGE STATE; CONDUCTING BEHAVIOR; DEFECT FORMATION ENERGIES; DEFECT LEVELS; DOPING EFFECTS; ELECTRONIC MATERIALS; ENERGY DIFFERENCES; EXTRAPOLATION METHODS; FORMATION ENERGIES; FUNDAMENTAL BAND GAP; GAP CORRECTION; GROUP III; OXYGEN-RICH CONDITIONS; REASONABLE ACCURACY; RELAXATION ENERGIES; SHALLOW DONORS; TRANSITION LEVEL; ZNO;

ALUMINUM; CONDUCTION BANDS; DENSITY FUNCTIONAL THEORY; DISPERSIONS; ELECTRONIC STRUCTURE; ENERGY GAP; GALLIUM; SEMICONDUCTOR DOPING; ZINC;

ZINC OXIDE;

EID: 84867687726     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2012.07.017     Document Type: Article

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