Теоретичні моделі хімічного зв’язку в розплавах термоелектричних матеріалів на основі Вi-Sb-Se-Тe

Editorial Board PCSS Journal; O.M. Manyk; D.E. Rybchakov; V.V. Lysko; V.V. Razinkov

doi:10.15330/pcss.26.4.733-737

Authors

O.M. Manyk Іnstitute of Thermoelectricity of the NAS and MES of Ukraine, Chernivtsi, Ukraine
D.E. Rybchakov Іnstitute of Thermoelectricity of the NAS and MES of Ukraine, Chernivtsi, Ukraine
V.V. Lysko Іnstitute of Thermoelectricity of the NAS and MES of Ukraine, Chernivtsi, Ukraine
V.V. Razinkov Іnstitute of Thermoelectricity of the NAS and MES of Ukraine, Chernivtsi, Ukraine

DOI:

https://doi.org/10.15330/pcss.26.4.733-737

Keywords:

theoretical models, state diagrams, phase transitions, chemical bond, nonequivalent hybrid orbitals, effective radii, dissociation energy

Abstract

A comprehensive approach has been developed for building theoretical models of ordered alloys of quaternary systems of thermoelectric materials. Calculations of effective charges, effective radii, redistribution of electron density, dissociation energy of nonequivalent hybrid orbitals (NHO) in the Bi-Sb-Se-Te system were carried out depending on the interatomic distances, type of crystal structure, and chemical bond. The results obtained can be used in the development of technology for obtaining new Bi-Sb-Se-Te based thermoelectric materials.

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