Ab initio calculations for the BaTiO3 (001) surface structure

Chinese Physics Letters

Volumn 21, Issue 5, 2004, Pages 825-828

  Xue, Xu Yan ^a   Wang, Chun Lei ^a   Zhong, Wei Lie ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BARIUM TITANATE; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; ENERGY GAP; LOCAL DENSITY APPROXIMATION; PEROVSKITE; TITANIUM DIOXIDE;

AB INITIO CALCULATIONS; AB INITIO METHOD; COVALENCIES; CUBIC PEROVSKITE; DENSITIES OF STATE; ELECTRONIC DENSITY; ELECTRONIC.STRUCTURE; LOCAL DENSITY-APPROXIMATION; LOCAL-DENSITY APPROXIMATION; SURFACE POLARIZATIONS;

CALCULATIONS;

EID: 2442622353     PISSN: 0256307X     EISSN: None     Source Type: Journal    
DOI: 10.1088/0256-307X/21/5/017     Document Type: Article

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