Hostname: page-component-8448b6f56d-dnltx Total loading time: 0 Render date: 2024-04-23T23:30:13.588Z Has data issue: false hasContentIssue false
  • English
  • Français

Calculation of the Surface Segregation of Pd-Cu, Pd-Ag, and Pd-Au Alloys

Published online by Cambridge University Press:  25 February 2011

Stephen M. Foiles
Stephen M. Foiles*
Affiliation:
Sandia National Laboratories, Livermore CA 94550
Get access

Abstract

The surface composition of the (111) surfaces of the binary alloys Pd-Cu, Pd-Ag, and Pd-Au have been computed by Monte Carlo computer simulation with the energetics determined by the Embedded Atom Method. Ag and Au are found to segregate to the first atomic layer of their alloys with Pd while for Pd-Cu alloys the degree of segregation is small but occurs mainly on the second atomic plane. The short-range order of the surfaces is addressed by studying the relative abundance of different compositions of nearest neighbor triangles on the (11) surfaces. The presence of triangles containing only atoms of one element is found to be suppressed by the short-range order. This result is shown to follow from the enhancement for these alloys of nearest neighbor pairs of atoms of different types.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 83: Symposium J – Physical and Chemical Properties of Thin Metal Overlayers and Alloy Surfaces , 1986 , 175
Copyright
Copyright © Materials Research Society 1987

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Ponec, V., Advan. Catalysis 32, 149 (1983).Google Scholar
2. Daw, M. S. and Baskes, M. I., Phys. Rev. B 29 6443 (1984).Google Scholar
3. Foiles, S. M., Baskes, M. I., and Daw, M. S., Phys. Rev. B 33. 7983 (1986).Google Scholar
4. Foiles, S. M., Phys. Rev. B 32, 7685 (1985).Google Scholar
5. Swartzfager, D. G., Ziemecki, S. B. and Kelly, M. J., J. Vac. Sci. Technol. 19, 185 (1981).Google Scholar
6. Hetzendorf, G. and Varga, P., Nucl. Instr. and Meth. in Phys. Res. (in press).Google Scholar
7. Kuijers, F. J. and Ponec, V., J. of Catalysis 60, 100 (1979).Google Scholar
8. Langeveld, A. D. van, Hendrickx, H. A. C. M. and Nieuwenhuys, B. E., Thin Solid Films 109, 179 (1983).Google Scholar
9. Kok, G. A., Noordermeer, A., and Nieuwenhuys, B. E., Surf. Sci. 152. 505 (1985).CrossRefGoogle Scholar
10. Noordermeer, A., Kok, G.A., and Nieuwenhuys, B. E., Surf. Sci. 165. 375 (1986).Google Scholar
11. Kirkwood, J. G., J. Chem. Phys. 3, 300 (1935).Google Scholar