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Atomistic Simulation and Elastic Theory of Surface Steps

Published online by Cambridge University Press:  21 February 2011

L. E. Shilkrot  and
D. J. Srolovitz
L. E. Shilkrot
Affiliation:
Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109-2136
D. J. Srolovitz
Affiliation:
Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109-2136
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Abstract

Atomistic computer simulations and anisotropic elastic theory are employed to determine the elastic fields of surface steps and vicinal surfaces. The displacement field of and interaction energies between <100> steps on an {001} Ni surface are determined using atomistic simulations and EAM potentials. The step-step interaction energy found from the simulations is consistent with a surface line force dipole elastic model of a step. We derive an anisotropic form for the elastic field associated with a surface line force dipole using a two dimensional surface Green tensor for a cubic elastic half-space. Both the displacement fields and step-step interaction energy predicted by the theory are shown to be in excellent agreement with the simulations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 399: Symposium D – Evolution of Epitaxial Structure and Morphology , 1995 , 505
Copyright
Copyright © Materials Research Society 1996

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References

REFERENCES

1 Marchenko, V.I. and Ya, A.. Parshin, Zh. Eksp. Teor. Fiz. 79, 257 (1980) [Sov. Phys. JETP 52, 129 (1980)].Google Scholar
2 Srolovitz, D. J. and Hirth, J.P., Surf. Sci. 255, 111 (1991).Google Scholar
3 Wolf, D. and Jaszczak, J.A., Surf. Sci. 277, 301 (1992).Google Scholar
4 Najafabadi, R. and Srolovitz, D.J., Surf. Sci. 317, 221 (1994).Google Scholar
5 Stewart, J., Pohland, O., and Gibson, J. M., Phys. Rev. B 49, 13848 (1994).Google Scholar
6 Pohland, O., Tong, X., and Gibson, J.M., J. Vac. Sci. Technol. A 11, 1837 (1993).Google Scholar
7 Shilkrot, L.E. and Srolovitz, D.J., to be published.Google Scholar
8 Foiles, S. M., Baskes, M.I., and Daw, M.S., Phys. Rev. B 33, 7983 (19986).Google Scholar
9 Press, W.H. et al., Numerical Recipes in C: The Art of Scientific Computing, 2nd Ed.; pp.420–25, Cambridge, University Press, NY 1992.Google Scholar
10 See, for example Ref. 5.Google Scholar
11 Rickman, J.M. and Srolovitz, D. J., Surf. Sci. 284, 211 (1993).Google Scholar