Lattice dynamics investigation of different transition behaviors of cubic BaTiO3 and SrTiO3 by first-principles calculations

Journal of Physics Condensed Matter

Volumn 20, Issue 21, 2008, Pages

  Xie, Ying ^a   Yu, Hai Tao ^a   Zhang, Guo Xu ^a   Fu, Hong Gang ^a  

^a HEILONGJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERRODISTORTIVE; COMPUTATIONAL RESULTS; CRYSTAL VOLUME; CUBIC BATIO; FERROELECTRIC INSTABILITY; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERATOMIC FORCES; IONIC RADIUS; LATTICE DYNAMICS; REAL-SPACE; SHORT-RANGE REPULSION; SRTIO; TRANSITION BEHAVIOR;

BARIUM; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; FERROELECTRICITY; IONIC CONDUCTION IN SOLIDS; LATTICE VIBRATIONS; PHASE TRANSITIONS; PHONONS; SOLIDS; STABILITY; STRONTIUM ALLOYS;

BARIUM COMPOUNDS;

EID: 61449190038     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/21/215215     Document Type: Article

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