N. A. Borshch, N. S. Pereslavtseva, V. R. Radina, S. I. Kurganskii
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Abstract
This paper presents results of a theoretical study of the electronic structure of a number of Cd-substituted silicon-based clathrates. Linearized augmented plane wave calculations are used to examine their band structure and the total and partial densities of electronic states in the clathrates. We analyze how the number of cadmium substituent atoms and their crystallographic position in the unit cell influence the electron energy spectrum of the clathrates.
期刊介绍：
Inorganic Materials is a journal that publishes reviews and original articles devoted to chemistry, physics, and applications of various inorganic materials including high-purity substances and materials. The journal discusses phase equilibria, including P–T–X diagrams, and the fundamentals of inorganic materials science, which determines preparatory conditions for compounds of various compositions with specified deviations from stoichiometry. Inorganic Materials is a multidisciplinary journal covering all classes of inorganic materials. The journal welcomes manuscripts from all countries in the English or Russian language.
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