Electronic structure of the ferroelectric-layered perovskite bismuth titanate by ab initio calculation within density functional theory

Chemical Physics Letters

Volumn 399, Issue 1-3, 2004, Pages 89-93

  Cai, Meng Qiu ^a   Yin, Zhen ^a   Zhang, Ming Sheng ^a   Li, Yi Zhi ^b  

^a NANJING UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAP; BISMUTH TITANATE; CONDUCTION BAND;

ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; GEOMETRY; OXYGEN; PEROVSKITE; PROBABILITY DENSITY FUNCTION;

BISMUTH COMPOUNDS;

BISMUTH DERIVATIVE; IRON; OXYGEN; PEROVSKITE; TITANIUM DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ELECTRONICS; GEOMETRY; HYBRIDIZATION;

EID: 10944255974     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.09.143     Document Type: Article

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