Computational Modeling of Indium and Enriched-Indium Gallium Nitride Epitaxy under High-Pressure Chemical Vapor Deposition

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This award to Spelman College by the Solid State Materials Chemistry program in the Division of Materials Research is to model high pressure chemical vapor deposition aimed at the growth of indium and other group III nitride alloys. Computational models that couple complex chemical kinetics systems with fluid dynamics will be used to simulate the chemical vapor deposition of indium nitride and indium-rich group III-nitride at high pressures. The goal is to determine the optimal design reactor parameters and ambient conditions, and to understand the complex heterogeneous kinetics. A novel combination of theory, modeling and experiments will be used to develop and understand fundamental gas phase and interfacial reaction constants. The results coming out of the simulation experiments will be beneficial in interpreting the experimental results, and the potential pay-offs in basic science and in technology could be great. This research will be carried out in collaboration with Georgia Tech and Georgia State University. The proposal is aimed directly at areas of group III-nitride growth which are currently not understood and which are fertile ground both for good, solid basic science and for technological development.This multi-disciplinary project will be an excellent training ground for undergraduate students at Spelman College in demonstrating the successful modeling of a complex growth process and experimental approaches. This close coupling of theory, modeling and experiment approaches could be appealing from an educational perspective. This project will expose undergraduate students early in their careers to the idea that theory, modeling and experiment can and should be done in unison. Interactions among students and faculty members at Spelman College, Georgia State University and Georgia Tech would be an added benefit to all involved in the project.