First-principles study on the electronic and optical properties of BiFeO3

Solid State Communications

Volumn 149, Issue 15-16, 2009, Pages 641-644

  Wang, Hai ^a   Zheng, Yue ^a   Cai, Meng Qiu ^b   Huang, Haitao ^a   Chan, Helen L W ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b HUNAN UNIVERSITY   (China)

Author keywords

A. BiFeO3; D. Electronic structure; D. Optical properties; E. Ab initio

Indexed keywords

ABSORPTION SPECTROSCOPY; BISMUTH; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; REFRACTIVE INDEX; STRUCTURAL PROPERTIES;

A. BIFEO3; BAND GAPS; BAND-STRUCTURE CALCULATIONS; BISMUTH FERRITES; COMPLEX DIELECTRIC FUNCTIONS; D. ELECTRONIC STRUCTURE; D. OPTICAL PROPERTIES; DENSITY FUNCTIONAL; E. AB INITIO; ENERGY-LOSS SPECTRUM; EXPERIMENTAL DATUM; EXTINCTION CO-EFFICIENT; FIRST-PRINCIPLES STUDIES; GENERALIZED GRADIENT APPROXIMATIONS; LATTICE PARAMETERS; MULTIFERROIC;

SEMICONDUCTING BISMUTH COMPOUNDS;

EID: 61349200872     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.01.023     Document Type: Article

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