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Dynamics at a Step on the Diamond (111) Surface

Published online by Cambridge University Press:  21 February 2011

Brian N. Davidson  and
Warren E. Pickett
Brian N. Davidson
Affiliation:
Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC
Warren E. Pickett
Affiliation:
Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC
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Abstract

Using an accurate tight-binding method, we examine the structure and dynamics at a C(lll) step. We find the H vibration frequencies at a step are distinguishable from the flat surface. Removal of H from the surface creates an unstable bulk terminated diamond structure which relaxes to a graphitic layer and pulls away from the bulk. The explanation for these results can be given in terms of the relationship of the band structure to the relaxed geometries. The addition of H stabilizes this surface and reverts it back to sp3 bonding. The addition of CH3 near a step is also discussed. These results are important towards the understanding of possible diamond growth mechanisms that occur at a step.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 339: Symposium D – Diamond, Silicon Carbide and Nitride Wide Bandgap Semiconductors , 1994 , 27
Copyright
Copyright © Materials Research Society 1994

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References

REFERENCES

1. Hu, Z.W., Jiang, S.S., Huang, P.Q., Li, S.H., Zhang, Z.M., Ge, C.Z., Zhao, X.N. and Feng, D., J. Phys. Condens. Matt. 4, 3753 (1992).Google Scholar
2. van Enckervort, W.J.P., Janssen, G., Vollenberg, W., Schermer, J.J. and Giling, L.J., Diamond and Related Materials 2, 997 (1993).Google Scholar
3. Sun, B., Zhang, X. and Lin, Z., Phys. Rev. B 47, 9816 (1993).Google Scholar
4. Frenklach, M., Spear, K.E., Mater, J.. Res. 3, 133 (1988).Google Scholar
5. Huang, D. and Frenklach, M., J. Phys. Chem. 95, 3692 (1991).Google Scholar
6. Xu, C.H., Wang, C.Z., Chan, C.T. and Ho, K.M., J. Phys. Condens Matt. 4, 6047 (1992).Google Scholar
7. Davidson, B.N. and Pickett, W.E., to appear in Phys. Rev. B April 15 (1993).Google Scholar
8. Pederson, M.R. and Jackson, K.A., Phys. Rev. B 41, 7453 (1990).Google Scholar
9. Hamza, A. V., Kubiak, G. D. and Stulen, R. H., Surf. Sci. Lett. 206, L833 (1988).Google Scholar
10. Davidson, B.N. and Pickett, W. E., submitted to Phys. Rev. B. (1994).Google Scholar
11. Evans, T. and James, P. F., Proc. Roy. Soc. A 277, 260 (1963).Google Scholar
12. Lurie, P.G. and Wilson, J.M., Surf. Sci. 65, 453 (1977).Google Scholar
13. Chin, R.P., Huang, J. Y., Shen, Y. R., Chuang, T.J., Seki, H. and Buck, M., Phys. Rev. B 45, 1522 (1992).Google Scholar
14. Pederson, M.R., Jackson, K.A. and Pickett, W.E. in New Diamond Science and Technology, edited by Messier, R., Glass, J. T., Butler, J.E. and Roy, R. (Mater. Res. Soc. Proc, Pittsburgh PA, 1991) pp 29–38;Google Scholar
Mintmire, J.W., Brenner, D.W., Dunlap, B.I., Mowrey, R.C. and White, C.T., in New Diamond Science and Technology, edited by Messier, R., Glass, J. T., Butler, J.E. and Roy, R. (Mater. Res. Soc. Proc, Pittsburgh PA, 1991) pp. 57–62.Google Scholar
15. Mehandru, S.P., Anderson, A.B. and Angus, J.C., J. Phys. Chem. 96, 10978 (1992).Google Scholar