Peculiarities of the Electron Structure of Pseudobinary Alloys (GeTe)m–(Sb2Te3)n

― The electron band structure of GeTe, Sb 2 Te 3 , GeSb 2 Te 4 , and Ge 2 Sb 2 Te 5 compounds has been calculated by the electron density functional method using the WIEN2k software package. These compounds belong to the class of (GeTe) m –(Sb 2 Te 3 ) n pseudobinary alloys, which pass from the crys...

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Veröffentlicht in:Crystallography reports 2019-05, Vol.64 (3), p.422-427
Hauptverfasser: Orlov, V. G., Sergeev, G. S.
Format: Artikel
Sprache:eng
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Zusammenfassung:― The electron band structure of GeTe, Sb 2 Te 3 , GeSb 2 Te 4 , and Ge 2 Sb 2 Te 5 compounds has been calculated by the electron density functional method using the WIEN2k software package. These compounds belong to the class of (GeTe) m –(Sb 2 Te 3 ) 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.
ISSN:1063-7745
1562-689X
DOI:10.1134/S1063774519030209