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首页> 外文会议>Simulation of semiconductor processes and devices 1998(SISPAD98) >Development of a gas-phase chemistry model for numerical prediction of MOVPE of GaN in industrial scale reactors
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Development of a gas-phase chemistry model for numerical prediction of MOVPE of GaN in industrial scale reactors

机译：开发用于工业规模反应器中GaN MOVPE数值预测的气相化学模型

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A mathematical model has been developed to describe gas-phase chemical transformations during MOVPE of GaN. Attention was paid primarily to the processes of formation and decomposition of the stable adduct compounds as a salient feature of CVD of group Ill-nitrides. The model relies upon estimation of the thermochemical properties of the feasible adducts, and detection of the predominant gas-phase species and reaction paths. No fitted parameters are necessary for a complete mathematical formulation due to the assumption of the partial equilibrium character of chemical behaviour of the considered gas mixture flows. The chemical model developed has been incorporated into a general numerical model of the MOCVD reactor. The last one is based on the complete Navier-Stokes equations for fluid dynamics simulation and takes into account all important physical processes such as conjugated heat transfer, radiation, multi-component diffusion as well as stiff gas-phase chemical reactions. Numerical simulation of commercial AIXTRON~® reactors (a horizontal tube reactor AIX 200 and a multiwafer Planetary Reactor~® AIX 2000) have been performed to obtain better understanding and optimization of nitride growth. Experimental growth conditions have been used as input parameters for calculations. Satisfactory agreement with the measured growth rate indicates a quantitatively appropriate prediction.
机译：已经开发了数学模型来描述GaN的MOVPE过程中的气相化学转化。主要关注作为III族氮化物的CVD的显着特征的稳定加合物的形成和分解过程。该模型依赖于估算可行加合物的热化学性质，以及检测主要的气相种类和反应路径。由于假定了所考虑的气体混合物流的化学行为的部分平衡特征，因此对于完整的数学公式而言，不需要拟合参数。所开发的化学模型已被纳入MOCVD反应器的一般数值模型中。最后一个基于完整的Navier-Stokes方程进行流体动力学模拟，并考虑了所有重要的物理过程，例如共轭传热，辐射，多组分扩散以及刚性气相化学反应。对商用AIXTRON®反应器（卧式管式反应器AIX 200和多晶片行星式反应器®AIX 2000）进行了数值模拟，以更好地理解和优化氮化物的生长。实验生长条件已用作计算的输入参数。与测得的增长率令人满意的一致性表明了定量上适当的预测。

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