The electronic spectra of vacancies in ZnS, ZnSe and ZnTe

The electronic spectra of vacancies and their various charged states in cubic ZnS, ZnSe and ZnTe crystals are calculated by the Green's function approach within the localized orbital method. The trends in the levels of charged vacancies are determined by taking into consideration the overall ch...

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Bibliographic Details
Published in:Solid state communications 2003-10, Vol.128 (2), p.113-117
Main Author: Erbarut, Erkan
Format: Article
Language:English
Subjects:
C. Charged vacancy levels
C. Vacancies
Condensed matter: electronic structure, electrical, magnetic, and optical properties
D. Green's function
D. Localized orbital method (LOM)
Electron density of states and band structure of crystalline solids
Electron states
Exact sciences and technology
Impurity and defect levels
Metals, semimetals, and alloys
Physics
Transition metals and alloys
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Summary:The electronic spectra of vacancies and their various charged states in cubic ZnS, ZnSe and ZnTe crystals are calculated by the Green's function approach within the localized orbital method. The trends in the levels of charged vacancies are determined by taking into consideration the overall charge neutrality condition. The pressure effects and the relaxation along (111) direction on the Zn and Se vacancy levels are also examined. The calculated results can be easily transferred to the calculation of vacancy induced optical properties.
ISSN:0038-1098
1879-2766
DOI:10.1016/S0038-1098(03)00512-X