Abstract
The electronic structure of Si46 and Na8Si46 clathrates has been calculated using the linearized augmented plane wave method. The calculation yielded their band structure, total and partial electron densities of states, and SiK β1, 3 and SiL 2, 3 X-ray emission spectra. The calculated and experimental spectra for the Na8Si46 clathrate were compared.
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Translated from Fizika i Tekhnika Poluprovodnikov, Vol. 39, No. 10, 2005, pp. 1218–1223.
Original Russian Text Copyright © 2005 by Kurganski\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \), Borshch, Pereslavtseva.
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Kurganskii, S.I., Borshch, N.A. & Pereslavtseva, N.S. Electronic structure and spectral properties of Si46 and Na8Si46 clathrates. Semiconductors 39, 1176–1181 (2005). https://doi.org/10.1134/1.2085266
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DOI: https://doi.org/10.1134/1.2085266