Theoretical models of ordered alloys of ternary systems thermoelectric material. 2. Chemical bond and state diagrams of Bi-Pb-Te
Keywords:
theoretical models, chemical bond, non-equivalent hybrid orbitals, effective radii, electron density, dissociation energy, state diagramsAbstract
A comprehensive approach has been developed for the construction of theoretical models of ordered alloys of ternary systems of promising thermoelectric materials. Calculations of effective radii, redistribution of electron density and dissociation energy of non-equivalent hybrid orbitals (NHO) in the Bi-Pb-Te system depending on interatomic distances are presented. Triangulation methods were used to construct the distribution scheme of phase areas and isothermal sections in the Bi-Pb-Te system based on intermediate binary compounds Pb-Te; Bi-Te; Pb-Bi.
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