First-principles study of structural, elastic, electronic, and optical properties of orthorhombic BiGaO3

Computational Materials Science

Volumn 42, Issue 4, 2008, Pages 614-618

  Li, Chenliang ^a   Wang, Biao ^a,b   Wang, Rui ^a   Wang, Hai ^a   Lu, Xiaoyan ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b SUN YAT SEN UNIVERSITY   (China)

Author keywords

Density functional theory; Elastic constants; Electronic properties; Optical properties; Structural properties

Indexed keywords

BAND STRUCTURE; CHARGE DENSITY; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; REFLECTION; REFRACTIVE INDEX;

DENSITY OF STATES; EXTINCTION COEFFICIENT; MULLIKEN CHARGE POPULATION; STRUCTURAL STABILITY;

BISMUTH COMPOUNDS;

EID: 43049163855     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.09.008     Document Type: Article

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