Jl. Rousset et al., THEORY OF SEGREGATION USING THE EQUIVALENT-MEDIUM APPROXIMATION AND BOND-STRENGTH MODIFICATIONS AT SURFACES - APPLICATION TO FEE PD-X ALLOYS, Physical review. B, Condensed matter, 53(8), 1996, pp. 4947-4957
We have developed, in the framework of a broken-bond model, a method t
o determine the surface composition of transition metal alloys. The mo
del is based on the equivalent-medium approximation which allows us to
calculate the energies of surface layers as a function of local Conce
ntration. The model also considers bond strength modifications at the
surface that are determined within a modified tight-binding scheme. Th
e model has been applied to several fee Pd-based alloys. The results a
re found to be in good agreement with available experimental data.