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Molecular Dynamics Simulations of Thin Film Diamond Growth

Published online by Cambridge University Press:  16 February 2011

Bernard A. Pailthorpe  and
Peter Knight
Bernard A. Pailthorpe
Affiliation:
Department of Applied Physics, University of Sydney, Sydney, NSW 2006, Australia. San Diego Supercomputer Center, PO Box 85608, San Diego, Ca. 92138-5608 U.S.A.
Peter Knight
Affiliation:
Department of Applied Physics, University of Sydney, Sydney, NSW 2006, Australia.
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Abstract

The growth of synthetic diamond thin films is studied by molecular dynamics computer simulations of low energy carbon atom deposition onto a low temperature diamond (111) surface. A previously reported Stillinger Weber potential, reparameterised for sp3 bonding in carbon using Hartree-Fock calculations for small carbon clusters, is used to model the interatomic interactions. The penetration of 1-100eV neutral carbon atoms into a (111) surface of carbon at 100K and the resultant surface atom rearrangements and induced film stress are studied. For intermediate energies (20-60eV) the incident atoms penetrate beneath the exposed (111) surface and increase the lateral compressive stress in the diamond film. It is suggested that diamond films grow from below the exposed surface in a region of locally high stress and tetrahedral coordination. The predicted radial distribution functions agree reasonably with electron diffraction studies of vacuum arc deposited amorphous diamond.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 223: Symposium E – Low Energy Ion Beam and Plasma Modification of Materials , 1991 , 29
Copyright
Copyright © Materials Research Society 1991

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References

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