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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
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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

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References

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