Accurate band gaps for semiconductors from density functional theory

Journal of Physical Chemistry Letters

Volumn 2, Issue 3, 2011, Pages 212-217

  Hai, Xiao ^a   Tahir Kheli, Jamil ^a   Goddard, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AVERAGE DEVIATION; BAND GAPS; DENSITY FUNCTIONALS; DESIGN MATERIALS; DOPANT LEVELS; GENERALIZED GRADIENT APPROXIMATIONS; HARTREE-FOCK EXCHANGES; HYBRID FUNCTIONALS; LOCAL DENSITY; PARENT COMPOUNDS; PHOTOVOLTAICS; TERNARY SEMICONDUCTORS; THERMOELECTRICS;

COPPER COMPOUNDS; ENERGY GAP; SEMICONDUCTING SELENIUM COMPOUNDS; SEMICONDUCTOR DEVICES;

DENSITY FUNCTIONAL THEORY;

EID: 79952907945     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz101565j     Document Type: Article

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