Negatively charged hydrogen at oxygen-vacancy sites in BaTiO3: Density-functional calculation

Journal of Applied Physics

Volumn 108, Issue 8, 2010, Pages

  Iwazaki, Yoshiki ^a,b   Suzuki, Toshimasa ^a   Tsuneyuki, Shinji ^b  

^a TAIYO YUDEN CO LTD   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOM TRAPPING; CARRIER COMPENSATION; CARRIER ELECTRONS; COMPLEX DEFECTS; COULOMB POTENTIAL; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DIFFUSION PROCESS; ENERGY DIAGRAM; FIRST-PRINCIPLES; INTERSTITIAL SITES; IONIZED STATE; PEROVSKITE TYPE OXIDES; POSITIVELY CHARGED; PRACTICAL SOLUTIONS; VALENCE STATE;

BARIUM COMPOUNDS; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; OXYGEN; OXYGEN VACANCIES; PEROVSKITE; VACANCIES; WAVE FUNCTIONS;

ATOMS;

EID: 78149424443     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3483243     Document Type: Article

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