Abstract In this study, we used computational and experimental studies to understand a halide vapor phase epitaxy (HVPE) reactor for growing Gallium Antimonide Phosphide (GaSbyP1-y) films. The computational model is developed for an HVPE reactor having one heating zone for precursor formation and a second zone for film deposition. The first zone is assumed to be in thermodynamic equilibrium. The deposition is modeled using a chemistry set describing various gas phase and gas-solid kinetics. As a case study, the growth of the novel GaSbyP1-y alloy was modeled and the effect of different variables i.e. substrate temperature and system pressure were evaluated. The predicted values for the growth rate are in good agreement with the ones obtained experimentally and other important features such as the crystalline quality and degree of Sb incorporation were correlated with the deposition temperature. The type of photoelectrochemical activity confirms the GaSbyP1-y alloys can be used as photoanodes for water splitting and at low applied biases over-perform a sulfur-doped commercial GaP, however, surface charge transfer kinetics need to be optimized.

中文翻译：

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使用卤化物气相外延生长锑化镓磷化物

摘要 在本研究中，我们使用计算和实验研究来了解用于生长磷化锑化镓 (GaSbyP1-y) 薄膜的卤化物气相外延 (HVPE) 反应器。该计算模型是为 HVPE 反应器开发的，该反应器具有一个用于前体形成的加热区和一个用于薄膜沉积的第二区。假设第一个区域处于热力学平衡状态。使用描述各种气相和气固动力学的化学组对沉积进行建模。作为案例研究，对新型 GaSbyP1-y 合金的生长进行了建模，并评估了不同变量（即基板温度和系统压力）的影响。生长速率的预测值与实验获得的值非常一致，其他重要特征如结晶质量和 Sb 掺入程度与沉积温度相关。光电化学活性的类型证实了 GaSbyP1-y 合金可用作光阳极进行水分解，并且在施加低偏压时优于掺硫的商业 GaP，但是，需要优化表面电荷转移动力学。