Unified picture of d-band and core-level shifts in transition metal alloys

C. Goyhenex and G. Tréglia
Phys. Rev. B 83, 075101 – Published 2 February 2011

Abstract

We present a unified description of d-band level shifts undergone by late transition metals under alloying as a function of the chemical concentration, in the framework of self-consistent tight-binding calculations. We show that all the trends in these level shifts can be predicted from the single knowledge of the initial difference in atomic d levels and in bandwidths between the two elements, allowing a perfect two-dimensional mapping in terms of both parameters. These findings are in close agreement with the behavior of core-level shifts measured by x-ray photoemission spectroscopy.

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  • Received 19 November 2010

DOI:https://doi.org/10.1103/PhysRevB.83.075101

© 2011 American Physical Society

Authors & Affiliations

C. Goyhenex

  • Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504, 23 rue du Lœss, Boîte Postale 43, F-67034 Strasbourg, France

G. Tréglia

  • Centre Interdisciplinaire de Nanoscience de Marseille, UPR 3118 CNRS, Campus de Luminy Case 913, F-13288 Marseille Cedex 9, France

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Issue

Vol. 83, Iss. 7 — 15 February 2011

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