First-principles study of structural, mechanical, electronic and optical properties of 3R-and 2H-CuGaO2

Physica B: Condensed Matter

Volumn 406, Issue 18, 2011, Pages 3377-3382

  Liu, Qi Jun ^a   Liu, Zheng Tang ^a   Chen, Ji Chao ^a   Feng, Li Ping ^a   Tian, Hao ^a  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

CuGaO2; Density functional theory; Mechanical properties; Optical properties

Indexed keywords

ABSORPTION COEFFICIENTS; COMPLEX CONDUCTIVITY; COMPLEX DIELECTRIC FUNCTIONS; COVALENT NATURE; CUGAO2; ENERGY-LOSS SPECTRUM; EXPERIMENTAL DATA; EXTINCTION COEFFICIENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; FUTURE APPLICATIONS; GA-O BONDS; INDIRECT BAND GAP; MECHANICALLY STABLE; OPTICAL REFLECTIVITY; STRUCTURAL PARAMETER;

ABSORPTION SPECTROSCOPY; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC STRUCTURE; MECHANICAL PROPERTIES; REFRACTIVE INDEX; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

STRUCTURAL PROPERTIES;

EID: 79960194056     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.06.002     Document Type: Article

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