First-principles study of the structural, elastic, electronic and optical properties of the monoclinic BiScO3

Physica B: Condensed Matter

Volumn 406, Issue 10, 2011, Pages 2028-2032

  Li, Chenliang ^a   Wang, Zhenqing ^a   Wang, Chaoying ^a  

^a HARBIN ENGINEERING UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic structure; Optical properties; Structural properties

Indexed keywords

BONDING BEHAVIOR; DENSITY OF STATE; DIELECTRIC CONSTANTS; DIELECTRIC FUNCTIONS; DIRECT BAND GAP; EXPERIMENTAL VALUES; EXTINCTION COEFFICIENTS; FIRST-PRINCIPLES STUDY; FUNCTION OF PRESSURE; IONIC NATURE; LOSS FUNCTIONS; STRUCTURAL PARAMETER; STRUCTURAL STABILITIES;

ABSORPTION SPECTROSCOPY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ION EXCHANGE; ORGANIC POLYMERS; POPULATION STATISTICS; REFRACTIVE INDEX; STABILITY;

STRUCTURAL PROPERTIES;

EID: 79953738053     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.03.013     Document Type: Article

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