Electronic structure of TiO2 rutile with oxygen vacancies: Ab initio simulations and comparison with the experiment

Journal of Experimental and Theoretical Physics

Volumn 112, Issue 2, 2011, Pages 310-316

  Perevalov, T V ^a   Gritsenko, V A ^a  

^a INSTITUTE OF SEMICONDUCTOR PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO SIMULATIONS; BAND GAPS; COMPARATIVE ANALYSIS; COULOMB CORRELATIONS; D ELECTRONS; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRON AND HOLE TRAPS; ELECTRON MASS; HARTREE-FOCK APPROXIMATIONS; SPIN-POLARIZED; TIO; TITANIUM ATOMS;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRIC CURRENTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; HARTREE APPROXIMATION; OXIDE MINERALS; OXYGEN; QUANTUM CHEMISTRY; TITANIUM; TITANIUM DIOXIDE;

OXYGEN VACANCIES;

EID: 79955917815     PISSN: 10637761     EISSN: None     Source Type: Journal    
DOI: 10.1134/S1063776111010158     Document Type: Article

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