Abstract
The Embedded Atom Method (EAM) has been combined with Monte Carlo simulations to study examples of surface phases. We find that the (I×2) missing row structure of Au(110) disorders at 570K, in close agreement with the experimental value of 650K. For Pt(110), we predict a similar transformation at 750K. Au deposited on Cu(100) is predicted to form a stable ordered surface alloy of c(2×2) symmetry, with a rippled surface, in agreement with experiment. In addition, the EAM predicts that Au/Cu(111) forms a√3×√3R30° ordered surface alloy and that Au/Cu(110) forms a weakly stable, c(2×2) ordered, surface alloy.
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References
M. S. Daw and M. I. Baskes, Phys. Rev. B22 6443 (1984).
W. Moritz and D. Wolf, Surf. Sci. 163, L655 (1985).
D. L. Adams, H. B. Nielsen, M. A. Van Hove, and A. Ignatiev, Surf. Sci. 104 47 (1981); E. Sowa and M. A. Van Hove, (in preparation).
J. D. Wrigley and G. Ehrlich, Phys. Rev. Lett. 44, 661 (1980).
G. L. Kellogg, Phys. Rev. Lett. 55, 2168 (1985).
I. K. Robinson, Phys. Rev. Lett. 50, 1145 (1983).
L. D. Marks, Phys. Rev. Lett., 51, 1000 (1983).
S. H. Overbury, W. Heiland, D. M. Zehner, S. Datz and R. S. Thoe, Surf. Sci. 109., 238 (1981).
M. Copel and T. Gustafsson, Phys. Rev. Lett. 57, 723 (1986).
D. Tomanek, H.-J. Brocksch, and K. H. Bennemann, Surf. Sci. 138 L129 (1983).
H.-J. Brocksch and K. H. Bennemann, Surf. Sci. 161, 321 (1985).
J. W. Davenport and M. Weinert, Phys. Rev. Lett. (comment). 58., 1382 (1987).
M. S. Daw and S. M. Foiles, JVST A4, 1412 (1986).
M. S. Daw, Surf. Sci. Lett. 166, L161 (1986).
S. M. Foiles, Surf. Sci. Lett. (in press).
K.-M. Ho and K. P. Bohnen (preprint).
G. Binnig, H. Rohrer, Ch. Gerber, and E. Weibel, Surf. Sci. 131 L379 (1983).
H. Wolf, H. Jagodzinski, and W. Moritz, Surf. Sci. 77., 265 (1978).
J. C. Campuzano, M. S. Foster, G. Jennings, R. F. Willis, and W. Unertl, Phys. Rev. Lett. 54 2684 (1985).
J. C. Campuzano, G. Jennings, and R. F. Willis, Surf. Sci. 162 484 (1985).
M. Salmerón and G. Somorjai, Surf. Sci. 91, 373 (1980).
P. Bak, Solid State Commun.; 32 581 (1979).
J. C. Campuzano, A. M. Lahee, and G. Jennings, Surf. Sci. 152/153, 68 (1985).
M. S. Daw and S. M. Foiles (in preparation).
Z. Q. Wang, Y. S. Li, C. K. C. Lok, J. Quinn, F. Jona, and P. M. Marcus, Solid State Comm. (in press).
G. W. Graham, Surf. Sci. 184, 137 (1987).
P. W. Palmberg and T. N. Rhodin, J. Chem. Phys. 49, 134 (1968).
S. M. Foiles, Surf. Sci. (in press).
S. M. Foiles, M. I. Baskes, and M. S. Daw, Phys. Rev. B33 7983 (1986).
See, for example, Monte Carlo Methods in Statistical Physics, (Vol. 7 in Topics in Current Physics series) edited by K. Binder (Springer-Verlag, New York, 1986).
N. C. Bartelt, T. L. Einstein, and L. D. Roelofs, Phys. Rev. B32 2993 (1985).
S. M. Foiles, Phys. Rev. B32 7685 (1985).
S. M. Foiles, J. Vac. Sci. Technol. (to be published).
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Daw, M.S., Foiles, S.M. (1988). Calculations of Structural Phases of Transition Metal Surfaces Using the Embedded Atom Method. In: van der Veen, J.F., Van Hove, M.A. (eds) The Structure of Surfaces II. Springer Series in Surface Sciences , vol 11. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-73343-7_21
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DOI: https://doi.org/10.1007/978-3-642-73343-7_21
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