DFT study on ferroelectricity of BaTiO3

Journal of Physical Chemistry B

Volumn 105, Issue 24, 2001, Pages 5766-5771

  Chen, Zhao Xu ^a   Chen, Yi ^a   Jiang, Yuan Sheng ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); POTENTIAL ENERGY SURFACES (PES);

BARIUM COMPOUNDS; CHEMICAL BONDS; LATTICE CONSTANTS; PERMITTIVITY; PHASE TRANSITIONS; PHONONS; POTENTIAL ENERGY; QUANTUM THEORY;

FERROELECTRICITY;

EID: 0035928136     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0032558     Document Type: Article

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