氮化镓MOCVD生长中的化学反应与反应器设计的关系研究

项目名称： 氮化镓MOCVD生长中的化学反应与反应器设计的关系研究

项目编号： No.61474058

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 无线电电子学、电信技术

项目作者： 左然

作者单位： 江苏大学

项目金额： 74万元

中文摘要： 从理论分析、数值模拟、实验测量三方面，研究MOCVD生长GaN薄膜的化学反应路径及其与反应器操作参数和几何参数的关系。应用分子运动论、反应动力学和流体力学理论，推导反应前体在高温边界层内的驻流时间，估计寄生反应发生的概率和反应前体的利用率。利用量子化学的密度泛函理论，计算GaN生长的最低能垒，确定反应路径。结合计算流体力学和反应动力学，建立MOCVD反应器的反应-输运模型，对典型的MOCVD反应器生长GaN的流场、温场、浓度场进行数值模拟，找出反应器结构、进气和加热方式对生长速率和反应路径的影响。研制多功能的MOCVD反应器试验台，进行紫外吸收光谱等气体浓度原位测量和壁面沉积化学分析。实验结果将与理论分析和模拟互相验证。研究结果将丰富III族氮化物生长的反应动力学理论，并为提高GaN薄膜生长质量和国产MOCVD反应器的研发提供理论指导。

中文关键词： 氮化镓；金属有机化学气相沉积；外延生长；MOCVD反应器；数值模拟

英文摘要： By theoretical analysis, numerical modeling and experimental measurement, we investigate the chemical reactions in the GaN MOCVD growth and the effects of the MOCVD reactor geometries and growth conditions on the above reactions. Combining molecular kinetic theory and fluid mechanics, we will derive the gas residence time in the high temperature boundary layer, and thus estimate the probability of parasitic reaction and growth efficiency. By using the density functional theory of quantum chemistry, the lowest energy barrier in GaN reactions will be determined. By combining the computational fluid dynamics and reaction kinetics, a MOCVD reaction-transport model will be built; the flow, temperature and concentration fields in vertical MOCVD reactor will be simulated. The effects of reactor geometry, and heating and mixing methods on the growth rate and the reaction path will be determined. Besides the analysis and simulation, we will build a multi-functional MOCVD reactor test bench, with in-situ gas concentration measurement by UV absorption spectra and ex-situ chemical analysis for wall deposition. Through comparisons of experimental measurements, theoretical predictions and simulation results will be validated.The research will enrich the reaction kinetic theory for group III nitride growth,optimize the growth quality of GaN thin films and provide theoretical guidance for home-made MOCVD reactor design.

英文关键词： GaN;MOCVD;epitaxy;MOCVD reactor;numerical simulation