The studies on the thermodynamics of P in silicon solution are significant for phosphorus removal in silicon purification technology. The activity interaction coefficient of Fe to P ( $$ \varepsilon_{\text{P}}^{\text{Fe}} $$ ε P Fe ) in a ternary system of Si-P-Fe at temperatures of 1623 K, 1673 K, and 1693 K was determined experimentally by the same activity method. The dissolution of P and Fe in the ternary Si-P-Fe alloy solution was investigated, and the possible phases in Si-P-Fe alloy were identified. Meanwhile, the activities of P and Fe ( a Fe and a P ) and the activity interaction coefficient $$ \varepsilon_{\text{P}}^{\text{Fe}} $$ ε P Fe in Si solution at 1693 K to 1873 K were calculated by a molecular interaction volume model (MIVM). The relationship between the activity interaction coefficient and temperature was achieved. The experimental results demonstrate that the presence of Fe in Si solution can improve the solubility of phosphorous, which is consistent with the calculation results by MIVM. In theory, it is beneficial for the removal of P from silicon by reducing the Fe concentration in Si.

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硅溶液中铁磷相互作用的热力学建模与实验研究

硅溶液中磷的热力学研究对硅提纯技术中的除磷具有重要意义。在 1623 K 温度下 Si-P-Fe 三元体系中 Fe 与 P 的活性相互作用系数 ( $$ \varepsilon_{\text{P}}^{\text{Fe}} $$ ε P Fe )， 1673 K 和 1693 K 是通过相同的活度方法通过实验确定的。研究了 P 和 Fe 在三元 Si-P-Fe 合金溶液中的溶解情况，并确定了 Si-P-Fe 合金中可能的相。同时，P和Fe的活度（a Fe和a P ）和活度相互作用系数$$ \varepsilon_{\text{P}}^{\text{Fe}} $$ ε P Fe 在Si溶液中在1693 K至 1873 K 通过分子相互作用体积模型 (MIVM) 计算。实现了活性相互作用系数与温度之间的关系。实验结果表明，Si溶液中Fe的存在可以提高磷的溶解度，这与MIVM的计算结果一致。理论上，降低Si中的Fe浓度有利于从硅中去除P。