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By optimizing the thermodynamic equations of heterogeneous equilibria with the Multipurpose Genetic Algorithm (MGA) the analytical model of crystallization surfaces of of PbTe, Sb2Te3, Bi2Te3 compounds and ternary phases PbBi2Te4, PbBi4Te7, PbBi6Te10 in the PbTe-Sbi2Te3-Bi2Te3 system is determined. To assess the deviation from the ideal model a limited powder XRD, DTA, and SEM results are used. As initial thermodynamic date we used enthalpy, entropy, and free energy of formation of the lead (II) telluride, antimony (III) telluride, bismuth (III) telluride and PbBi2Te4, PbBi4Te7, PbBi6Te10 compounds. Applying the subregular model of solutions of heterovalent compounds to lead (II), bismuth (III) and antimony (III) tellurides, the temperature-concentration dependences of the integral molar energy of Gibbs formation of three-component alloys are determined. Analytical three-dimensional model of liquidus surfaces of the PbTe-Sb2Te3-Bi2Te3 system visualized using the computer program Origin Lab.

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Thermodynamic Calculation and 3D Modeling of the Phase Diagram PbTe-Sb2Te3-Bi2Te3 System

  • 会议论文

  • 发表日期：

    2025年

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  • A. N. Mammadov,
  • F. S. Ibragimova,
  • A. I. Aghazade,
  • D. B. Tagiev,
  • M. B. Babanly

摘要

By optimizing the thermodynamic equations of heterogeneous equilibria with the Multipurpose Genetic Algorithm (MGA) the analytical model of crystallization surfaces of of PbTe, Sb2Te3, Bi2Te3 compounds and ternary phases PbBi2Te4, PbBi4Te7, PbBi6Te10 in the PbTe-Sbi2Te3-Bi2Te3 system is determined. To assess the deviation from the ideal model a limited powder XRD, DTA, and SEM results are used. As initial thermodynamic date we used enthalpy, entropy, and free energy of formation of the lead (II) telluride, antimony (III) telluride, bismuth (III) telluride and PbBi2Te4, PbBi4Te7, PbBi6Te10 compounds. Applying the subregular model of solutions of heterovalent compounds to lead (II), bismuth (III) and antimony (III) tellurides, the temperature-concentration dependences of the integral molar energy of Gibbs formation of three-component alloys are determined. Analytical three-dimensional model of liquidus surfaces of the PbTe-Sb2Te3-Bi2Te3 system visualized using the computer program Origin Lab.