THEORY OF SEGREGATION USING THE EQUIVALENT-MEDIUM APPROXIMATION AND BOND-STRENGTH MODIFICATIONS AT SURFACES - APPLICATION TO FEE PD-X ALLOYS

Citation
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
Citations number
27
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
53
Issue
8
Year of publication
1996
Pages
4947 - 4957
Database
ISI
SICI code
0163-1829(1996)53:8<4947:TOSUTE>2.0.ZU;2-I
Abstract
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.