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Reconstructions and Morphological Instabilities of FCC (110)Surfaces

  • J. Sun (a1) and Craig Rottman (a1)

Abstract

We compare the ground state energy of the following structures of fcc (110) surfaces: the (1×1) flat surface, the (n×1) reconstruction (2 ≤ n < ∞), and the (∞ × 1) structure where the surface is faceted into macroscopic (111) surfaces. We map out the phase diagram using a lattice model with pair and triplet interactions. We argue that it is unlikely that any realist pair potential will give a reconstructed ground state. We also doubt that including, in addition, three body interactions will stabilize the reconstructed structure for interatomic interactions derived from the embedded atom method.

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References

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1. Vlieg, E., Robinson, I.K., and Kern, K., Surf. Sci. 233, 184 (1990);
Stock, M., Risse, J., Korte, U., and Meyer-Emsen, G., Surf. Sci. 233, L243 (1990);
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2. Foiles, S.M., Surf. Sci. 191, L779 (1987).
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4. Foiles, S.M., Baskes, M.I., and Daw, M.S., Phys. Rev. B 33, 7983 (1986).

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