Theoretical models of ordered alloys of ternary systems of thermoelectric materials. 5. Chemical bond and state diagrams of Cd-Sb-Te.
Keywords:
theoretical models, chemical bond, effective radii, dissociation energy, state diagrams, non-equivalent hybrid orbitals (NHO)Abstract
Theoretical models of ordered alloys of promising thermoelectric materials of ternary systems based on Cd-Sb-Te have been developed.
Using inverse triangulation methods, isothermal cross-sections and diagrams of the distribution of phase regions in ternary systems were constructed using binary state diagrams of the initial components (Cd-Sb; Cd-Te; Sb-Te).
Calculations of the effective radii of interatomic interaction, electron density redistribution, and dissociation energy of the corresponding chemical bonds forming the Cd-Sb-Te crystal structure depending on the interatomic distances are presented.
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