Étude de premier principe de la structure électronique des super-réseaux (BeTe)n/(ZnSe)m (100)
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Date
2016-11-30
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Abstract
Résumé (Français et/ou Anglais) :
The structural, electronic and optical properties of (BeTe)n/(ZnSe)m superlattices have been computationally evaluated for different configurations with m = n and m ≠ n using the full-potential linear muffin-tin method (FP-LMTO). The exchange and correlation potentials are treated by the local density approximation (LDA). The ground state properties of (BeTe)n/(ZnSe)m binary compounds are determined and compared with the available data. It is found that the superlattice band gaps vary depending on the layers used. The optical constants, including the dielectric function (), the refractive index n() and the reflectivity R(), are calculated for radiation energies up to 35 eV.
Keywords: FP-LMTO; Electronic structure; Optical properties; Superlattices.
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Doctorat
