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Volumn 15, Issue 2, 2011, Pages 357-366
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On the role of lattice dynamics on low-temperature oxygen mobility in solid oxides: A neutron diffraction and first-principles investigation of La 2CuO 4+delta
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Author keywords
Density functional theory; Lattice dynamics; Neutron diffraction; Non stoichiometry; Oxygen mobility; Ruddlesden Popper series
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Indexed keywords
AMBIENT TEMPERATURES;
APICAL OXYGEN;
BROWNMILLERITES;
DYNAMICAL CALCULATIONS;
EXCHANGE MECHANISM;
FIRST-PRINCIPLES;
FIRST-PRINCIPLES INVESTIGATIONS;
INTERSTITIAL OXYGEN;
INTERSTITIAL OXYGEN SITE;
LATTICE DYNAMICS;
LATTICE INSTABILITY;
LOW ENERGIES;
LOW TEMPERATURES;
MAXIMUM ENTROPY METHODS;
MICROSCOPIC SCALE;
NON-STOICHIOMETRY;
NUCLEAR DENSITIES;
OXYGEN DIFFUSION;
OXYGEN MOBILITY;
OXYGEN SPECIES;
OXYGEN-DOPED;
PHONON MODE;
RUDDLESDEN-POPPER SERIES;
SOLID OXIDE;
STRUCTURAL STUDIES;
TYPE STRUCTURES;
UNIT CELLS;
ATOMS;
CRYSTAL ATOMIC STRUCTURE;
DENSITY FUNCTIONAL THEORY;
DIFFUSION IN GASES;
DYNAMICS;
LANTHANUM;
LATTICE VIBRATIONS;
NEUTRON DIFFRACTION;
NEUTRONS;
PHONONS;
SINGLE CRYSTALS;
SOLIDS;
STOICHIOMETRY;
TEMPERATURE;
OXYGEN;
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EID: 79952042227
PISSN: 14328488
EISSN: None
Source Type: Journal
DOI: 10.1007/s10008-010-1274-7 Document Type: Article |
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Times cited : (35)
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References (22)
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