双反应源气体HVPE生长α-Ga_(2)O_(3)的仿真优化研究  

Simulation and Optimization of HVPE Growthα-GaO with Dual-Reaction Source Gases

作　　者：刘庆东 陈琳[1,2] 陶志阔[1] 修向前[2] LIU Qingdong;CHEN Lin;TAO Zhikuo;XIU Xiangqian(School of Electronic and Optical Engineering,Nanjing University of Posts and Telecommunications,Nanjing 210023,CHN;School of Electronic Science and Engineering,Nanjing University,Nanjing 210023,CHN)

机构地区：[1]南京邮电大学电子与光学工程学院,南京210023 [2]南京大学电子科学与工程学院,南京210023

出　　处：《半导体光电》2021年第2期252-258,共7页Semiconductor Optoelectronics

基　　金：国家自然科学基金项目(61574079);南京邮电大学校级科研基金项目(NY217108)。

摘　　要：使用数值模拟的方法,对氢化物气相外延(HVPE)生长α-Ga_(2)O_(3)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Cl_(2)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/GaCl^(3)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GaCl^(3)与O_(2)反应的活化能,通过实验数据拟合得到α-Ga_(2)O_(3)相变为β-Ga_(2)O_(3)的反应活化能。在此基础上,对生长温度、GaCl/GaCl^(3)的组分占比进行了模拟,并给出了α-Ga_(2)O_(3)的优化生长条件。In this paper,the temperature and reaction source gas flow of growingα-Ga_(2)O_(3) 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 Cl_(2),we use the method of external Ga source,which can accurately adjust the component proportion,mole fraction and concentration of GaCl/GaCl^(3).In addition,the activation energy of the reaction between GaCl^(3) and O_(2) was calculated by molecular simulation software Gaussian,and the activation energy ofα-Ga_(2)O_(3) convert to β-Ga_(2)O_(3) was obtained by fitting the experimental data.On this basis,we researched the growth temperature and the composition ratio of GaCl/GaCl^(3),and then we concluded the optimal growth conditions of HVPEα-Ga_(2)O_(3).

关 键 词：α-Ga_(2)O_(3) 氢化物气相外延 数值模拟 Gaussian软件 活化能 外置Ga源 生长温度 组分占比 

分 类 号：TN304.23[电子电信—物理电子学] TN304.054