Hostname: page-component-cd9895bd7-hc48f Total loading time: 0 Render date: 2024-12-27T02:40:44.243Z Has data issue: false hasContentIssue false

Molecular Dynamics Studies of the Adatom Induced Rearrangement of the Silicon {100} Surface

Published online by Cambridge University Press:  25 February 2011

Donald W. Brenner
Affiliation:
Department of Chemistry, 152 Davey Laboratory, The Pennsylvania State University, University Park, PA 16802
Barbara J. Garrison
Affiliation:
Department of Chemistry, 152 Davey Laboratory, The Pennsylvania State University, University Park, PA 16802
Get access

Abstract

A molecular dynamics simulation of the silicon adatom induced rearrangement of the silicon {100} symmetric dimer reconstructed surface has been performed. Surface diffusion is proposed to play a critical role in the reordering of this surface which leads to good epitaxy while it plays much less of a role in the reordering induced by an amorphous overlayer. These results are used to provide atomic-scale models which are consistent with high-energy ion channeling/blocking and LEED studies by Gossman and Feldman of the initial stages of silicon growth on this surface.

Type
Research Article
Copyright
Copyright © Materials Research Society 1987

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1 Gossman, H.-J., Feldman, L.C. and Gibson, W.M., Surf. Sci. 155, 413 (1985).Google Scholar
2 Gossman, H.-J. and Feldman, L.C., Phys. Rev. B 32, 6 (1985).Google Scholar
3 Schlier, R.E. and Farnsworth, H.E., J. Chem. Phys. 30, 917 (1959).Google Scholar
4 Applebaum, J.A. and Hamann, D.R., Surf. Sci. 74, 21 (1978).Google Scholar
5 Cardillo, M.J. and Becker, G.E., Phys. Rev. B 21, 1497 (1980).CrossRefGoogle Scholar
6 Yin, M.T. and Cohen, M.L., Phys. Rev. B 24, 2303 (1981).Google Scholar
7 Pandy, K.C., in Proceedings of the Seventeenth International Conference on the Physics of Semiconductors, edited by Chadi, D.J. and Harrison, W.A. (Springer-Verlag, New York, 1985), p.55.Google Scholar
8 See for example a) Abraham, F.F., Adv. Phys. 35, 1 (1986); b) W.G. Hoover, Molecular Dynamics (Springer-Verlag, Berlin, 1986).Google Scholar
9 See reference 8a, p. 91.Google Scholar
10 Brenner, D.W. and Garrison, B.J., to be published.Google Scholar
11 Brenner, D.W. and Garrison, B.J., Phys. Rev. B 34, 1304 (1986).Google Scholar
12 Hamers, R.J., Tromp, R.M. and Demuth, J.E., Phys. Rev. B 34, 5343 (1986).Google Scholar
13 See for example a) Adelman, S.A., Adv. Chem. Phys. 44, 143 (1980); b) R.R. Lucchese and J.C. Tully, Surf. Sci.137, 570 (1983).Google Scholar
14 Tersoff, J., Phys. Rev. Lett. 56, 632 (1986).CrossRefGoogle Scholar
15 Dodson, B.W., Phys. Rev. B 35, 2795 (1987).CrossRefGoogle Scholar
16 Tersoff, J. (private communication).Google Scholar