Теоретичні моделі впорядковуваних сплавів термоелектричних матеріалів на основі Bi-Sn-Те

Editorial Board PCSS Journal; Orest Manyk; Mariia Krechun; Valentyn Lysko; Valerii Razinkov

doi:10.15330/pcss.26.2.370-376

Authors

Orest Manyk Yurii Fedkovych Chernivtsi National University, Chernivtsi, Ukraine; Institute of Thermoelectricity, Chernivtsi, Ukraine
Mariia Krechun Yurii Fedkovych Chernivtsi National University, Chernivtsi, Ukraine; Institute of Thermoelectricity, Chernivtsi, Ukraine
Valentyn Lysko Institute of Thermoelectricity of the NAS and MSE of Ukraine, Chernivtsi, Ukraine; Yurii Fedkovych Chernivtsi National University, Chernivtsi, Ukraine
Valerii Razinkov Institute of Thermoelectricity of the NAS and MSE of Ukraine, Chernivtsi, Ukraine

DOI:

https://doi.org/10.15330/pcss.26.2.370-376

Keywords:

theoretical models, chemical bond, effective radii, electron density, state diagrams

Abstract

A comprehensive approach has been developed for constructing theoretical models of Bi-Sn-Te based ordered alloys. Calculations of effective radii, redistribution of electron density and dissociation energy of nonequivalent hybrid orbitals (NHO) in the Bi-Sn-Te system depending on interatomic distances have been presented. A scheme for improving the technology of switching the thermoelement legs, taking into account the peculiarities of the chemical bond, has been proposed.

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