Advanced computational modeling for growing III-V materials in a high-pressure chemical vapor-deposition reactor

Beatriz H. Cardelino; Craig E. Moore; Carlos A. Cardelino; Nikolaus Dietz

doi:10.1117/12.616528

20 September 2005 Advanced computational modeling for growing III-V materials in a high-pressure chemical vapor-deposition reactor

Beatriz H. Cardelino, Craig E. Moore, Carlos A. Cardelino, Nikolaus Dietz

Author Affiliations +

Proceedings Volume 5912, Operational Characteristics and Crystal Growth of Nonlinear Optical Materials II; 59120F (2005) https://doi.org/10.1117/12.616528
Event: Optics and Photonics 2005, 2005, San Diego, California, United States

Abstract

A numerical model was developed to simulate vapor deposition in high-pressure chemical vapor-deposition reactors, under different conditions of pressure, temperature, and flow rates. The model solved for steady-state gas-phase and heterogeneous chemical kinetic equations coupled with fluid dynamic equations within a three-dimensional grid simulating the actual reactor. The study was applied to indium nitride (InN) epitaxial growth. The steady-state model showed that at 1050-1290 K average substrate temperatures and 10 atm of total pressure, atomic indium (In) and monomethylindium [In(CH₃)] were the main group III gaseous species, and undissociated ammonia (NH₃) and amidogen (NH₂) the main group V gaseous species. The results from numerical models with an inlet mixture of 0.73:0.04:0.23 mass fraction ratios for nitrogen gas (N₂), NH₃ and trimethylindium [In(CH₃)₃], respectively, and an initial flow rate of 0.17 m s^-1, were compared with experimental values. Using a simple four-path surface reaction scheme, the numerical models yielded a growth rate of InN film of 0.027 μm per hour when the average substrate temperature was 1050 K and 0.094 μm per hour when the average substrate temperature was 1290 K. The experimental growth rate under similar flow ratios and reactor pressure, with a reactor temperature between 800 and 1150 K yielded an average growth rate of 0.081 μm per hour, comparing very well with the computed values.

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Beatriz H. Cardelino, Craig E. Moore, Carlos A. Cardelino, and Nikolaus Dietz "Advanced computational modeling for growing III-V materials in a high-pressure chemical vapor-deposition reactor", Proc. SPIE 5912, Operational Characteristics and Crystal Growth of Nonlinear Optical Materials II, 59120F (20 September 2005); https://doi.org/10.1117/12.616528

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