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）第一阶段的研究旨在开发一种有效的程序，用于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。这些技术现在广泛应用于半导体工业，通过化学气相沉积来模拟材料在衬底上的生长。这种模型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。虽然多步有限速率反应机制涉及大约10到20种物质足以模拟二元合金的生长，但三元合金生长的精确模拟需要更多的反应和物质。这使得对这种情况的计算极其昂贵和令人望而却步。这项技术可以改善各种各样的电子和光电器件。优化和表征它们的生长对光电和半导体行业的成功至关重要。虽然商业上这些代码在模拟纯和二元半导体材料的增长方面取得了巨大的成功，但由于缺乏化学知识和执行此类计算所需的极端计算努力，它们的成功对于三元材料来说是有限的（如果不是不存在的话）。

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.