Hybrid functional study on structural and electronic properties of oxides

Current Applied Physics

Volumn 11, Issue 3 SUPPL., 2011, Pages

  Park, Sohee ^a   Lee, Bora ^a   Jeon, Sang Ho ^a   Han, Seungwu ^a  

^a Seoul National University   (South Korea)

Author keywords

Band offset; Energy gap; HSE06; Hybrid functional; Lattice parameters

Indexed keywords

BAND OFFSETS; DEFECT LEVELS; EXPERIMENTAL VALUES; FIRST-ORDER; FUNCTIONAL METHODS; HSE06; HYBRID FUNCTIONAL; MIXING PARAMETERS; RELATIVE SHIFT; SRTIO; TIO; ZNO;

ELECTRONIC PROPERTIES; ENERGY GAP; LATTICE CONSTANTS; OPTIMIZATION; SILICON COMPOUNDS; TITANIUM DIOXIDE; ZINC OXIDE;

SOLIDS;

EID: 80255135612     PISSN: 15671739     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cap.2010.09.008     Document Type: Conference Paper

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