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Molecular Dynamics Simulations of Steps at Crystal Surfaces.

Published online by Cambridge University Press:  26 February 2011

G. H. Gilmer
Affiliation:
AT&T Bell Laboratories, Murray Hill, New Jersey 07974
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Abstract

The growth of semiconductor crystals by molecular beam epitaxy often involves the motion of distinct steps, which are the boundaries of incomplete atomic layers. We review some of the crystal growth mechanisms based on step generation and motion. Ising models have been widely used to study equilibrium faceting and crystal growth. We discuss more general models of steps which are based on molecular dynamics calculations of atomic motion and empirical interatomic potentials. These models include the possibility of surface and step reconstructions, and here we discuss their influence on the step energy and motion. We find that certain types of steps have a structure with drastically reduced energy compared to unreconstructed steps. We have also examined the effect of stress resulting from misfit in epitaxial systems. We find that 1% misfit can completely change the nature of a step, since its excess energy may change sign from negative to positive, or vice versa. Simulations of molecular beam epitaxy give direct information on the conditions under which step growth mechanisms play a role.

Type
Research Article
Copyright
Copyright © Materials Research Society 1991

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References

REFERENCES

(1) Wierenga, P. E., Kubby, J. A. and Griffith, J. E., Phys. Rev. Lett. 59, 2169 (1987)Google Scholar
(2) Lagally, M. G., Mo, Y.-W., Kariotis, R., Swartzentruber, B. S. and Webb, M. B., in: “Kinetics of Growth and Ordering at Surfaces”, Lagally, M. G., ed., (Plenum, New York, 1990), p. 145.Google Scholar
(3) Hanbucken, M., Futamoto, M. and Venables, J. A., Surface Sci. 147, 433 (1984).Google Scholar
(4) Tsuchiya, M., Gaines, J. M., Yan, R. H., Simes, R. J., Holtz, P. O., Coldren, L. A. and Petroff, P. M., Phys. Rev. Lett. 62, 466 (1989).Google Scholar
(5) Chernov, A. A., in: “Modem Crystallography III”, (Springer, Berlin, 1984).Google Scholar
(6) Stillinger, F. H. and Weber, T., Phys. Rev. B 31, 5262 (1985).Google Scholar
(7) Hockney, R. W. and Eastwood, J. W., in: “Computer Simulation using Particles”, (McGraw-Hill, New York, 1981).Google Scholar
(8) Tersoff, J., Phys. Rev. Lett. 56, 632 (1986),Google Scholar
and Tersoff, J., Phys. Rev. B 37, 6991 (1988).Google Scholar
(9) Schneider, M., Schuller, I. K. and Rahman, A., Phys. Rev. B 36, 1340 (1987).Google Scholar
(10) Biswas, R., Grest, G. S. and Soukoulis, C. M., Phys. Rev. B 38, 8154 (1988).Google Scholar
(11) Srivastava, D., Garrison, B. J. and Brenner, D. W., Phys. Rev. Lett. 63, 302 (1989).Google Scholar
(12) Gilmer, G. H., Grabow, M. H. and Bakker, A. F., Materials Science and Engineering, B6, 101 (1990).Google Scholar
(13) Bakker, A. F., Gilmer, G. H., Grabow, M. H. and Thompson, K., J. Comp. Phys. 90, 313 (1990).Google Scholar
(14) Poon, T. W., Yip, S., Ho, P. S., Abraham, F. F., Phys. Rev. Lett. 65, 2161 (1990).Google Scholar
(15) Alerhand, O. L., Vanderbilt, D., Meade, R. D., and Joannopoulos, J. D., Phys. Rev. Lett. 61, 1973 (1988).Google Scholar