Abstract This review provides an introduction to III-Nitrides MOVPE process modeling and its application to the design and optimization of MOVPE processes. Fundamentals of the MOVPE process with emphasis on transport phenomena are covered. Numerical techniques to obtain solutions for the underlying governing equations are discussed, as well as approaches to describe multi-component diffusion for typical regimes during MOVPE. Properties of common industrial MOVPE reactor types like close spaced showerhead reactors, rotating disk reactors and Planetary Reactors are compared in terms of underlying working principles and generic process parameter dependencies. The main part of the paper is devoted to reviewing gas phase and surface reaction mechanisms during MOVPE. The process design in particular for MOVPE of III-Nitrides is determined by complex gas phase reaction kinetics. Advances in the modeling and predicting of these processes have contributed to understanding and controlling these phenomena in industrial scale MOVPE reactors. Detailed kinetics and simplified surface kinetic approaches describing the incorporation of constituents into multinary solid alloys are compared and a few application cases are presented. Differences in thermodynamic and kinetic properties of multi-layered structures of different compositions such as InGaN, AlGaN can cause enrichment of the adsorbed layer by certain group III atoms (indium in case of InGaN and gallium in case of AlGaN) that translate into specific features of composition profiles along the growth direction. An intrinsic feature of III-nitride materials is epitaxial strain that shows up in different forms during growth and affects both deposition kinetics and material quality. In case of InGaN MOVPE there is a strong interplay between indium content and strain that has direct influence on distribution of material composition in the epitaxial layers and multi-layered structures. Epitaxial strain can relax via different routes such as nucleation and evolution of the extended defects (dislocations), layer cracking and roughening of the surface morphology. Simulation approaches that address coupling of growth kinetics with strain and defect dynamics are discussed and exemplified.

中文翻译：

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III族氮化物MOVPE建模进展

摘要 本综述介绍了 III 族氮化物 MOVPE 工艺建模及其在 MOVPE 工艺设计和优化中的应用。涵盖了 MOVPE 过程的基本原理，重点是传输现象。讨论了获得基本控制方程解的数值技术，以及描述 MOVPE 期间典型状态的多分量扩散的方法。常见工业 MOVPE 反应器类型（如密间距喷头反应器、旋转盘式反应器和行星式反应器）的特性在基本工作原理和通用工艺参数相关性方面进行了比较。本文的主要部分致力于回顾 MOVPE 过程中的气相和表面反应机制。特别是用于 III 族氮化物的 MOVPE 的工艺设计是由复杂的气相反应动力学决定的。这些过程的建模和预测方面的进展有助于理解和控制工业规模 MOVPE 反应器中的这些现象。比较了详细的动力学和简化的表面动力学方法，这些方法描述了将成分掺入多元固体合金中，并介绍了一些应用案例。不同成分的多层结构（例如 InGaN、AlGaN）的热力学和动力学特性的差异会导致某些 III 族原子（InGaN 中的铟和 AlGaN 中的镓）富集吸附层，从而转化为沿生长方向的成分分布。III 族氮化物材料的一个内在特征是外延应变，它在生长过程中以不同的形式出现并影响沉积动力学和材料质量。在 InGaN MOVPE 的情况下，铟含量和应变之间存在很强的相互作用，这对外延层和多层结构中的材料成分分布有直接影响。外延应变可以通过不同的途径松弛，例如扩展缺陷（位错）的成核和演化、层开裂和表面形态的粗糙化。讨论并举例说明了解决生长动力学与应变和缺陷动力学耦合的模拟方法。在 InGaN MOVPE 的情况下，铟含量和应变之间存在很强的相互作用，这对外延层和多层结构中的材料成分分布有直接影响。外延应变可以通过不同的途径松弛，例如扩展缺陷（位错）的成核和演化、层开裂和表面形态的粗糙化。讨论并举例说明了解决生长动力学与应变和缺陷动力学耦合的模拟方法。在 InGaN MOVPE 的情况下，铟含量和应变之间存在很强的相互作用，这对外延层和多层结构中的材料成分分布有直接影响。外延应变可以通过不同的途径松弛，例如扩展缺陷（位错）的成核和演化、层开裂和表面形态的粗糙化。讨论并举例说明了解决生长动力学与应变和缺陷动力学耦合的模拟方法。