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Journal of Materials Chemistry

Volumn 20, Issue 46, 2010, Pages 10335-10344

Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations

(6) Tanaka, Isao a,b,c Togo, Atsushi a Seko, Atsuto a Oba, Fumiyasu a Koyama, Yukinori a Kuwabara, Akihide b

a KYOTO UNIVERSITY (Japan)

b JAPAN FINE CERAMICS CENTER (Japan)

c KYOTO UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER EXPANSION; COMBINED METHOD; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; GROUND-STATE STRUCTURES; LATTICE DYNAMICS; LATTICE MODELS; NUMERICAL ACCURACY; OXIDE CRYSTALS; PHONON MODE; SPINEL OXIDE; STATISTICAL THERMODYNAMICS; SYSTEMATIC SET; TEMPERATURE DEPENDENCE; THERMODYNAMICAL QUANTITIES;

CRYSTAL LATTICES; CRYSTALLINE MATERIALS; PHASE TRANSITIONS; QUANTUM THEORY; SOLIDS; STATISTICAL MECHANICS;

THERMODYNAMICS;

EID: 78649251194 PISSN: 09599428 EISSN: 13645501 Source Type: Journal
DOI: 10.1039/c0jm01932a Document Type: Article

Times cited : (9)

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