Ab initio simulation of the electronic structure of Ta2O 5 crystal modifications

Journal of Experimental and Theoretical Physics

Volumn 116, Issue 6, 2013, Pages 995-1001

  Perevalov, T V ^a   Shaposhnikov, A V ^a  

^a INSTITUTE OF SEMICONDUCTOR PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIELECTRIC MATERIALS; ELECTRON ENERGY LEVELS; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; HIGH-K DIELECTRIC; MICROELECTRONICS; QUANTUM CHEMISTRY; TANTALUM OXIDES;

AB INITIO SIMULATIONS; CHARACTERISTIC ABSORPTION; COORDINATION POSITION; CRYSTAL MODIFICATIONS; ELECTRON ENERGY LOSS SPECTRUM; HARTREE-FOCK EXCHANGES; HYBRID FUNCTIONALS; NEUTRAL OXYGEN VACANCY;

OXYGEN VACANCIES;

EID: 84881569731     PISSN: 10637761     EISSN: None     Source Type: Journal    
DOI: 10.1134/S1063776113040158     Document Type: Article

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