Electronic theory for surface segregation in CuxNi1x alloy

S. Mukherjee, J. L. Morán-López, V. Kumar, and K. H. Bennemann
Phys. Rev. B 25, 730 – Published 15 January 1982
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Abstract

Surface segregation is studied for CuxNi1x alloys using the tight-binding Hartree-Hamiltonian and a mixed Bethe-lattice model to determine the electronic energy. Results for the surface segregation at (100) and (111) surfaces of the alloy are presented and compared with existing experimental results. Also, results are given for the temperature dependence of the segregation. Furthermore, the effect of the surface segregation on the local electronic density of states and on the surface core-level shifts is calculated on the basis of our electronic theory.

  • Received 20 July 1981

DOI:https://doi.org/10.1103/PhysRevB.25.730

©1982 American Physical Society

Authors & Affiliations

S. Mukherjee, J. L. Morán-López*, V. Kumar, and K. H. Bennemann

  • Institut für Theoretische Physik, Freiė Universität Berlin, Arnimallee 3, 1000 Berlin 33, Germany

  • *Present address: Departamento de Física, Centro de Investigacion del IPN, Apdo Postal 14-740, México 14.

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Vol. 25, Iss. 2 — 15 January 1982

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