Abstract―
The electron band structure of GeTe, Sb2Te3, GeSb2Te4, and Ge2Sb2Te5 compounds has been calculated by the electron density functional method using the WIEN2k software package. These compounds belong to the class of (GeTe)m–(Sb2Te3)n pseudobinary alloys, which pass from the crystalline to the amorphous state and vice versa under laser irradiation or an electric pulse for extremely short times on the order of 1–100 ns. A detailed analysis of the parameters of critical points (maxima, minima, and inflection points) in the electron density distribution, located at the high-symmetry points of crystal structure, is performed. Characteristic values of the parameters of critical points in the electron density distribution are found for this class of materials.
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Orlov, V.G., Sergeev, G.S. Peculiarities of the Electron Structure of Pseudobinary Alloys (GeTe)m–(Sb2Te3)n. Crystallogr. Rep. 64, 422–427 (2019). https://doi.org/10.1134/S1063774519030209
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DOI: https://doi.org/10.1134/S1063774519030209