First-principles investigations of the band structure and optical properties of γ-boron

Solid State Communications

Volumn 150, Issue 13-14, 2010, Pages 605-608

  Xia, Qinglin ^a   Yi, Jianhong ^a,b   Li, Yanfeng ^a   Peng, Yuandong ^a   Wang, Hongzhong ^a   Zhou, Chengshang ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

A. B28; B. First principles; C. Electronic structures; D. Optical properties

Indexed keywords

ABSORPTION COEFFICIENTS; B. FIRST PRINCIPLES; CHEMICAL BONDINGS; COVALENT CHARACTER; DENSITY-FUNCTIONAL METHODS; DIELECTRIC FUNCTIONS; ELECTRON DENSITIES; ELECTRON ENERGIES; ENERGY RANGES; FIRST-PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; GENERALIZED GRADIENT APPROXIMATIONS; HIGH-PRESSURE PHASE; IONIC CHARACTER; LOSS FUNCTIONS; PLANE-WAVE BASIS SET; POPULATION ANALYSIS; PSEUDOPOTENTIALS;

BORON; BORON COMPOUNDS; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OPTICAL CONDUCTIVITY; ORGANIC POLYMERS; REFRACTIVE INDEX;

STRUCTURAL PROPERTIES;

EID: 77649140275     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.12.040     Document Type: Article

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