Geometry, electronic structure and thermodynamic stability of intrinsic point defects in indium oxide

Journal of Physics Condensed Matter

Volumn 21, Issue 45, 2009, Pages

  Ágoston, Péter ^a   Erhart, Paul ^b   Klein, Andreas ^a   Albe, Karsten ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTISITES; DEFECT FORMATION ENERGIES; EXTRAPOLATION PROCEDURE; FINITE SIZE EFFECT; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; FREE ELECTRON; GENERALIZED GRADIENT APPROXIMATIONS; INDIUM OXIDE; INFINITE DILUTION; INTERSTITIALS; INTRINSIC POINT DEFECTS; N-TYPE CONDUCTIVITY; NON-STOICHIOMETRY; OXIDIZING CONDITIONS; SHALLOW STATE;

APPROXIMATION THEORY; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INDIUM; OXYGEN; POINT DEFECTS; STOICHIOMETRY; THERMODYNAMIC STABILITY; VACANCIES;

OXYGEN VACANCIES;

EID: 72749083696     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/45/455801     Document Type: Article

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