Theoretical models of ordered alloys of thermoelectric material ternary systems
Chemical bond and state diagrams of In-Cd-Sb
Keywords:
state diagrams, phase transitions, chemical bond, nonequivalent hybrid orbitals, dissociation energyAbstract
Using the developed comprehensive approach for building theoretical models of ordered alloys of ternary systems of thermoelectric materials, a diagram of the distribution of phase regions for equilibrium in the solid state and isothermal sections based on intermediate binary compounds In-Sb, Cd-Sb, In-Cd are constructed. Calculations of effective charges, effective radii, electron density redistribution, and dissociation energy of nonequivalent hybrid orbitals (NHOs) in the In-Cd-Sb system depending on interatomic distances are presented. The results of theoretical calculations can be used in the development of technology for new thermoelectric materials based on ternary In-Cd-Sb systems.
Bibl. 13, Fig. 4, Tabl. 3.
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