氮化铝薄膜生长动力学模型与模拟研究

发布时间：2018-06-26 04:45

  本文选题：氮化铝 + 金属有机物化学气相淀积　； 参考：《西安电子科技大学》2015年硕士论文

【摘要】：AlN材料以其高禁带宽度、击穿电场强、热导率高和高紫外透过率等优越的物理、光学和电学性质,在大功率器件、耐高压器件、高温器件和紫外光电器件等领域得到了非常广泛的应用。虽然MOCVD方法是生长高质量AlN薄膜的主流技术,但其生长动力学机理与生长模型等理论研究远落后生长实验研究。基于Grove理论和KMC方法,本文进行了MOCVD生长AlN薄膜的动力学模型建立与模拟研究,并将模型模拟结果与实验数值进行了对比,模型对于实际工艺生长具有指导意义。基于MOCVD技术生长AlN薄膜的生长工艺、生长特性和生长动力学实验,本论文对反应前躯体TMAl和NH3的化学反应机理和气相输运过程进行了系统地分析研究,深入理解了各条反应路径对于最终薄膜生长的影响。基于AlN生长特性和反应机理的研究分析结果,本论文采用Grove理论,研究建立了MOCVD生长AlN薄膜的生长速率模型,根据AlN的生长特性,计算并确定了气相输运系数hg、表面反应速率常数ks、单位薄膜生长所需分子数等模型参数;基于该模型,进行了不同温度(523K-1223K)下和不同压强(0Pa-2240Pa)下AlN生长速率模型的实验验证;对比结果表明,该模型计算结果与实验结果十分吻合:不同温度下生长速率模型的平均误差为8.63%,不同压强下生长速率模型的平均误差为8.03%。采用动力学蒙特卡洛(KMC)算法,本论文对MOCVD工艺生长AlN薄膜的生长动力学及表面形貌进行了模拟研究。根据AlN的结构和生长特性,研究建立了AlN薄膜的表面生长动力学模型。根据AlN粒子之间相互作用的势垒能数据,计算了AlN粒子的吸附沉积速率和表面迁移速率等模型参数;基于KMC原理,以AlN四面体结构分子为模型的最基本单元;采用MATLAB语言,对原子级动力学过程进行了程序化实现;进行了AlN粒子从成核到薄膜的KMC生长模拟,给出了不同生长速率和不同生长时间下的表面形貌图。
[Abstract]:AlN materials have excellent physical, optical and electrical properties such as high band gap, strong breakdown electric field, high thermal conductivity and high ultraviolet transmittance. High temperature devices and ultraviolet optoelectronic devices have been widely used in many fields. Although MOCVD is the mainstream technique for the growth of high quality AlN thin films, the growth kinetics and growth model of MOCVD are far behind the experimental study. Based on Grove theory and KMC method, the dynamic model of AlN thin films grown by MOCVD was established and simulated, and the simulation results were compared with the experimental data. Based on the growth process, growth characteristics and growth kinetics of AlN thin films grown by MOCVD technology, the chemical reaction mechanism and gas phase transport process of TMAl and NH3 in the body before the reaction were systematically analyzed and studied in this paper. The effect of each reaction path on the growth of the final film was thoroughly understood. Based on the analysis of the growth characteristics and reaction mechanism of AlN, the growth rate model of AlN thin films grown by MOCVD was established by Grove theory. The model parameters such as gas transport coefficient (Hg), surface reaction rate constant (KS) and the number of molecules needed for the growth of the film were calculated and determined, based on which the AlN growth rate models at different temperatures (523K-1223K) and different pressures (0Pa-2240Pa) were tested. The comparison results show that the calculated results are in good agreement with the experimental results: the average error of the growth rate model at different temperatures is 8.63, and the average error of the growth rate model under different pressures is 8.03. Dynamic Monte Carlo (KMC) algorithm was used to simulate the growth kinetics and surface morphology of AlN films grown by MOCVD. According to the structure and growth characteristics of AlN, the surface growth kinetics model of AlN thin films was established. Based on the barrier energy data of the interaction between AlN particles, the adsorption deposition rate and surface migration rate of AlN particles are calculated. Based on the KMC principle, the AlN tetrahedron molecule is taken as the most basic unit of the model. The atomic level kinetic process was programmed and the KMC growth of AlN particles from nucleation to film was simulated. The surface morphology of AlN particles was obtained at different growth rates and different growth times.
【学位授予单位】：西安电子科技大学
【学位级别】：硕士
【学位授予年份】：2015
【分类号】：TB383.2

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