Abstract
The results of complex theoretical studies of the electron structure of Zn-substituted Si-based clathrates are reported. The calculation is carried out by the linearized augmented plane wave method. As a result, the energy band structures, the total and partial densities of electron states, and the X-ray emission spectra are obtained. The effect of the number of substitutions and their sites in the unit cell on the electron-energy spectrum of clathrates is analyzed.
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Original Russian Text © N.A. Borshch, N.S. Pereslavtseva, S.I. Kurganskii, 2011, published in Fizika i Tekhnika Poluprovodnikov, 2011, Vol. 45, No. 6, pp. 729–739.
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Borshch, N.A., Pereslavtseva, N.S. & Kurganskii, S.I. Electronic structure and spectral characteristics of Zn-substituted clathrate silicides. Semiconductors 45, 713–723 (2011). https://doi.org/10.1134/S1063782611060066
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DOI: https://doi.org/10.1134/S1063782611060066