双反应源气体HVPE生长α-Ga2O3的仿真优化研究

Simulation and Optimization of HVPE Growth α-Ga2O3 with Dual-Reaction Source Gases

摘要:

使用数值模拟的方法,对氢化物气相外延(HVPE)生长α-Ga₂O₃材料的温度和反应源气流进行了优化。区别于传统的在反应腔内HCl或Cl₂携带Ga源的结构,使用了外置Ga源的方法,可以较准确地调整GaCl/GaCl₃的组分占比、摩尔分数和浓度。另外,使用分子模拟软件Gaussian计算得到GaCl₃与O₂反应的活化能,通过实验数据拟合得到α-Ga₂O₃相变为β-Ga₂O₃的反应活化能。在此基础上,对生长温度、GaCl/GaCl₃的组分占比进行了模拟,并给出了α-Ga₂O₃的优化生长条件。

Abstract:

In this paper, the temperature and reaction source gas flow of growing α-Ga₂O₃ by hydride vapor phase epitaxy (HVPE) were optimized by numerical simulation. Different from the traditional reaction chamber in which Ga source carried by HCl or Cl₂, we use the method of external Ga source, which can accurately adjust the component proportion, mole fraction and concentration of GaCl/GaCl₃. In addition, the activation energy of the reaction between GaCl₃ and O₂ was calculated by molecular simulation software Gaussian, and the activation energy of α-Ga₂O₃ convert to β-Ga₂O₃ was obtained by fitting the experimental data. On this basis, we researched the growth temperature and the composition ratio of GaCl/GaCl₃, and then we concluded the optimal growth conditions of HVPE α-Ga₂O₃.