In the literature, there are no thermodynamic assessments of the As-Si and As-Sn binary systems, and the existing thermodynamic description for the As-Ge system is not reliable. Based on the critical evaluation of literature data including both phase equilibria and thermodynamic data, thermodynamic optimizations for the three binary systems were carried out by means of CALPHAD (CALculation of PHAse Diagrams) approach. The substitution solution model was used to describe the Gibbs energies of the solutions phases including liquid, (As), (βSn), (Ge) and (Si). All of the intermetallic compounds, i.e., AsSn, As₃Sn₄, AsGe, As₂Ge, AsSi and As₂Si, were modeled as stoichiometric compounds. In the present work, the enthalpies of formation for the intermetallic compounds in the As-Sn system were re-calculated through the first-principles method in view of the inconsistency for the enthalpies of formation reported in the literature. A set of self-consistent thermodynamic parameters for each binary system was obtained by means of Thermo-Calc software. A regularity for the melting points, enthalpies of melting and enthalpies of formation of the AsSi, AsGe, and AsSn is observed. The calculated results were in good agreement with the experimental data.

在文献中，没有对 As-Si 和 As-Sn 二元系统的热力学评估，现有的 As-Ge 系统热力学描述也不可靠。基于对包括相平衡和热力学数据在内的文献数据的批判性评估，通过 CALPHAD（PHAse Diagrams 计算）方法对三个二元系统进行了热力学优化。置换溶液模型用于描述溶液相的吉布斯能量，包括液体、（As）、（βSn）、（Ge）和（Si）。所有金属间化合物，即 AsSn、As ₃ Sn ₄、AsGe、As ₂ Ge、AsSi 和 As ₂Si，被建模为化学计量化合物。在目前的工作中，鉴于文献报道的生成焓不一致，通过第一性原理方法重新计算了 As-Sn 系统中金属间化合物的生成焓。通过Thermo-Calc 软件获得了每个二元系统的一组自洽热力学参数。观察到 AsSi、AsGe 和 AsSn 的熔点、熔化焓和形成焓的规律性。计算结果与实验数据吻合良好。