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Mechanisms of Molecular Beam Epitaxial Growth on Reconstructed Si{100}: Thermal and Energized Beams

Published online by Cambridge University Press:  28 February 2011

B. J. Garrison ,
M. T. Miller  and
D.W. Brenner
B. J. Garrison
Affiliation:
The Pennsylvania State University, Department of Chemistry, University Park, PA 16801
M. T. Miller
Affiliation:
The Pennsylvania State University, Department of Chemistry, University Park, PA 16801
D.W. Brenner
Affiliation:
Naval Research Laboratory, Washington, D. C. 20375
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Summary:

Molecular dynamics simulations have been performed that examine the microscopic mechanisms of rearrangements of atoms on the Si{ 1001 surface due to deposition of gas phase atoms. For thermal energy deposition we find that the gas atoms initially attach to dangling bonds of the surface dimer atoms. The dimer ’unreconstruction’ is due to a diffusion event on the surface, thus is temperature activated. We also find that dimers may open in regions of the surface where there are several atoms not at lattice sites, thus a low temperature amorphous structure. For 5-10 eV deposition there are direct mechanisms of dimer opening that occur on the 50-100 fs timescale. For energies greater than 15-20 eV there is implantation of the silicon atoms which leads to subsurface damage.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 419
Copyright
Copyright © Materials Research Society 1989

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