Calculations of energy barriers to CVD diamond growth

Christopher D. Latham; Malcom I. Heggie; Bob Jones

doi:10.1117/12.130768

20 November 1992 Calculations of energy barriers to CVD diamond growth

Christopher D. Latham, Malcom I. Heggie, Bob Jones

Proceedings Volume 1759, Diamond Optics V; (1992) https://doi.org/10.1117/12.130768
Event: San Diego '92, 1992, San Diego, CA, United States

Abstract

The growth of thin diamond films by chemical vapor deposition currently in a painfully slow process with highly variable results depending on many experimental parameters. By computer modeling of processes at diamond surfaces using a local density functional cluster method, we have found substantial energy barriers (4 - 6 eV) to growth. Overall, the reactions are strongly exothermic though, thus making them irreversible. The results presented here focus on the addition of methyl radicals and acetylene molecules to {100} 2 X 1 reconstructed surfaces. We propose two possible diamond growth mechanisms in which the relatively weak reconstruction bonds have a crucial role.

Citation Download Citation

Christopher D. Latham, Malcom I. Heggie, and Bob Jones "Calculations of energy barriers to CVD diamond growth", Proc. SPIE 1759, Diamond Optics V, (20 November 1992); https://doi.org/10.1117/12.130768

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