Theoretical band-structure spectroscopy of AuxPd1-x alloys

P. Weinberger, L. Szunyogh, B. I. Bennett

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Abstract

Based on electronic structure calculations in terms of the all-electron self-consistent-field fully relativistic Korringa-Kohn-Rostoker coherent potential approximation for AuxPd1-x, the ultraviolet photoelectron, the Au N6,7 x-ray emission, as well as the Au N6,7 valence-valence (VV) and the Pd M4,5 VV Auger electron intensities are calculated for a wide range of concentrations by using the fully relativistic approaches for the corresponding cross sections. The variation of the line shapes for these spectra can be explained mostly by the changes of the valence d band with the concentration. Good quantitative agreement with available experiments is found.

Original languageEnglish
Pages (from-to)10154-10157
Number of pages4
JournalPhysical Review B
Volume47
Issue number16
DOIs
Publication statusPublished - Jan 1 1993

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ASJC Scopus subject areas

  • Condensed Matter Physics

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