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Volumn 14, Issue 25, 2002, Pages 6455-6467
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First-principles calculations of an oxygen deficient Σ = 3 (111) [101̄] grain boundary in strontium titanate
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Author keywords
[No Author keywords available]
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Indexed keywords
ATOMIC PHYSICS;
CALCULATIONS;
CHEMICAL RELAXATION;
CRYSTAL DEFECTS;
CRYSTAL MICROSTRUCTURE;
ELECTRON ENERGY LEVELS;
ELECTROSTATICS;
GRAIN BOUNDARIES;
MATHEMATICAL MODELS;
PROBABILITY DENSITY FUNCTION;
CHARGE NEUTRAL STATE;
DENSITY FUNCTION THEORY;
ELECTRON CHEMICAL POTENTIAL;
FORMATION ENERGY;
OXYGEN DEFICIENT;
STRONTIUM TITANATE;
STRONTIUM COMPOUNDS;
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EID: 0036639252
PISSN: 09538984
EISSN: None
Source Type: Journal
DOI: 10.1088/0953-8984/14/25/313 Document Type: Article |
Times cited : (13)
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References (34)
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