State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Guangzhou 51006, China.
Foshan Research Institute of Sun Yat-sen University, Foshan 528225, China.
Molecules. 2019 Mar 1;24(5):876. doi: 10.3390/molecules24050876.
The parameters for metal-organic chemical vapor deposition (MOCVD) processes significantly influence the properties of ZnO films, especially the flow stability of the chamber, which is caused by process parameters such as the shape of reaction chamber, the working pressure, the growth temperature, the susceptor rotational speed, the gas flow rate, and the nature of the carrier gas at inlet temperature. These parameters are the preconditions for the formation of high-quality film. Therefore, this study uses Ar as a carrier gas, diethylzinc (DEZn) as a Zn source, and H₂O as an oxygen source and adopts the reaction mechanism calculated by quantum chemistry, which includes ten gas reactions and eight surface reactions. The process parameters of a specific reaction chamber model were analyzed based on the computational fluid dynamics method. This study also presents an accurate prediction of the flow regime in the reactor chamber under any operating conditions, without additional experiments, based on an analysis of a great quantity of simulation data. Such research is also significant for selecting the growth parameters relevant to production, providing a specific process growth window, narrowing the debugging scope, and providing a theoretical basis for the development of MOCVD equipment and process debugging.
金属有机化学气相沉积（MOCVD）工艺的参数对 ZnO 薄膜的性能有重要影响，特别是腔室的流动稳定性，这是由反应腔的形状、工作压力、生长温度、基座转速、气体流量以及载气入口温度等工艺参数引起的。这些参数是形成高质量薄膜的前提条件。因此，本研究采用 Ar 作为载气，二乙基锌（DEZn）作为 Zn 源，H₂O 作为氧源，并采用量子化学计算的反应机制，其中包括十个气体反应和八个表面反应。基于计算流体动力学方法对特定反应室模型的工艺参数进行了分析。本研究还通过分析大量的模拟数据，在无需额外实验的情况下，对任何操作条件下的反应器室中的流型进行了准确预测。这种研究对于选择与生产相关的生长参数也很重要，它提供了一个具体的工艺生长窗口，缩小了调试范围，并为 MOCVD 设备和工艺调试的发展提供了理论依据。
