Abinitiosurface core-level shifts and surface segregation energies
- 11 October 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 71 (15) , 2449-2452
- https://doi.org/10.1103/physrevlett.71.2449
Abstract
We have calculated the surface core-level energy shifts of the 4d and 5d transition metals by means of local-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method. Final-state effects are included by treating the core-ionized atom as an impurity located in the bulk and at the surface, respectively. It is shown that the study of surface core-level shifts provides an ideal tool for an accurate determination of the surface segregation energy of a substitutional (Z+1) impurity in a Z metal host (Z denotes atomic number).Keywords
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