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用群变换法的配对近似计算了Hg-Cd-Te液—固相图。本工作是从前Ⅲ—V族工作的一个推广,同时考虑了络合物的某些特性。对液相作假晶格结构近似,它包括各种分子形式以及各种原子形式。还考虑空位以便计及压力效果。与规则溶体模型不同,配对法在液相中可以考虑短程作用。首先,可调整的参数(多数是能量)与Hg-Te和Cd-Te二元系的实验值相吻合。络合物模型可以解释组分为50％处的不对称性和所出现的峰值。这些参数和几个补充的参数构成一参数组(与温度和组分无关)用来计算整个三元系液—固相图。每个参数都控制相图的一定特性。尽管该工作仍在进行之中,却已经在Hg角和Te角与已有的实验结果吻合得相当好。对化学势相图也作了讨论。
The Hg-Cd-Te liquid-solid phase diagram was calculated using the pairing approximation of the group transformation method. This work is an extension of the previous group III-V work, taking into account certain characteristics of the complex. The pseudo-lattice structure of liquid phase approximation, which includes a variety of molecular forms and various atomic forms. Also consider vacancies to account for stress effects. Unlike the regular melt model, the pairing method can consider short-range effects in the liquid phase. First, the parameters that can be adjusted (most of the energy) match the experimental values of the binary system of Hg-Te and Cd-Te. The complex model can account for the asymmetry at 50% of the components and the peaks that appear. These parameters and several additional parameters form a set of parameters (independent of temperature and composition) used to calculate the entire ternary liquid-solid phase diagram. Each parameter controls certain features of the phase diagram. Although this work is still underway, it has been reasonably well matched with the experimental results at Hg and Te angles. The chemical potential diagram is also discussed.