Improved semiconductor lattice parameters and band gaps from a middle-range screened hybrid exchange functional

Journal of Physics Condensed Matter

Volumn 24, Issue 14, 2012, Pages

  Lucero, M J ^a   Henderson, T M ^a   Scuseria, G E ^a,b  

^a RICE UNIVERSITY   (United States)

^b KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY SEMICONDUCTORS; COMPUTATIONALLY EFFICIENT; EXCHANGE-CORRELATIONS; FUNCTIONALS; HIGH QUALITY; HYBRID EXCHANGE; IONIC SYSTEMS; SEMICONDUCTOR LATTICES; SEMILOCAL FUNCTIONALS; VISIBLE SPECTRA;

ENERGY GAP; SEMICONDUCTOR DEVICES;

LATTICE CONSTANTS;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER SIMULATION; ENERGY RESOURCE; SEMICONDUCTOR;

COMPUTER SIMULATION; ENERGY-GENERATING RESOURCES; MODELS, MOLECULAR; SEMICONDUCTORS;

EID: 84858649339     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/14/145504     Document Type: Article

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