SBIR Phase I: Development of Reduced Engineering Models for Prediction of Growth of Ternary III-V Semiconductor Materials Grown by Metal Organic Vapor Phase Epitaxy

这项小型企业创新研究(SBIR)第一阶段研究旨在开发一种有效的方法来预测金属有机气相外延(MOVPE)生长的三元III-V半导体材料的生长。这些技术现在被广泛应用于半导体工业中，通过化学气相沉积来模拟衬底上材料的生长。这种模拟的成功在很大程度上取决于用于预测生长过程的气相和表面反应机制的复杂性。虽然涉及大约10到20个组分的多步有限速率反应机制足以模拟二元合金的生长，但准确地模拟三元合金的生长需要更多的反应和组分。这使得这种情况的计算非常昂贵和令人望而却步。这项技术可以改进各种各样的电子和光电弧光器件。对它们的生长进行优化和表征对于光电子和半导体行业的成功至关重要。虽然这些程序已经在商业上成功地用于模拟纯和二元半导体材料的生长，但由于缺乏化学知识和执行此类计算所需的极端计算工作，它们对三元材料的成功有限(如果不存在的话)。

This Small Business Innovation Research (SBIR) Phase I study is aimed toward development of an efficient procedure for predicting growth of ternary III-V semiconductor materials grown by Metal Organic Vapor Phase Epitaxy (MOVPE). These techniques are now used extensively in the semiconductor industry to model growth of materials on substrates by chemical vapor deposition. The success of such modeling depends largely on the complexity of the gas phase and surface reaction mechanisms used to predict the growth process. While multi-step finite-rate reaction mechanisms involving approximately ten to twenty species are adequate for modeling growth of binary alloys, accurate modeling of ternary alloy growth necessitates many more reactions and species. This renders the calculations for such scenarios extremely expensive and prohibitive. This technology can improve a wide variety of electronic and opto-electronic are devices. Optimization and characterization of their growth is crucial to the success of the opto-electronic and semiconductor industry. While commercial these codes have been used with great success for modeling growth of pure and binary semiconductor materials, their success has been limited (if not non-existent) for ternary materials due to the lack of knowledge of the chemistry and the extreme computational efforts required o perform such calculations.