The electronic structure of CuCl

We report a systematic study of the electronic properties of zinc-blende CuCl. The band structure, valence and conduction effective mass, density of states (DOS) and charges densities are calculated using the local density all-electron full-potential linearized augmented plane wave (FLAPW) method. O...

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Bibliographic Details
Published in:Computational materials science 2001-02, Vol.20 (2), p.267-274
Main Authors: Ferhat, M., Bouhafs, B., Aourag, H., Zaoui, A., Certier, M.
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron density of states and band structure of crystalline solids
Electron states
Exact sciences and technology
Methods of electronic structure calculations
Other inorganic compounds
Physics
Plane-wave methods (including augmented plane-wave method)
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Summary:We report a systematic study of the electronic properties of zinc-blende CuCl. The band structure, valence and conduction effective mass, density of states (DOS) and charges densities are calculated using the local density all-electron full-potential linearized augmented plane wave (FLAPW) method. Our results are in agreement with a host of theoretical and experimental data yielding a consistent description of electronic properties of this class of technologically important semiconductor compounds.
ISSN:0927-0256
1879-0801
DOI:10.1016/S0927-0256(00)00181-6