Electronic structure of AgxPt1x alloys

H. Ebert, P. Weinberger, and J. Voitländer
Phys. Rev. B 31, 7557 – Published 15 June 1985
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Abstract

Fully relativistic Korringa-Kohn-Rostoker coherent-potential approximation calculations are performed for AgxPt1x, x=0.06, 0.15, 0.30, 0.40, 0.50, 0.70, and 0.90. The electronic structure of the AgxPt1x alloys is discussed in terms of densities of states, d3/2-like and d5/2-like partial local densities of states for the components Ag and Pt, and in terms of Bloch spectral functions. For all alloys ‘‘Fermi-surface cuts’’ in the ΓXK, ΓXU, and ΓKU planes are shown. The variation of the unenhanced density of states at the Fermi energy with the concentration x agrees rather well with the variation of the experimental molar susceptibilities. From the Bloch spectral functions, but also, from the densities of states, it is found that the electronic structure undergoes strong changes when the molar fraction varies.

  • Received 15 October 1984

DOI:https://doi.org/10.1103/PhysRevB.31.7557

©1985 American Physical Society

Authors & Affiliations

H. Ebert

  • Institut für Physikalische Chemie der Universitat München, Sophienstrasse 11, D-8000 München 2, Federal Republic of Germany

P. Weinberger

  • Institut für Technische Elektrochemie, Technische Universitat Wien, Getreidemarkt 9, A-1060 Wien, Austria

J. Voitländer

  • Institut für Physikalische Chemie der Universitat München, Sophienstrasse 11, D-8000 München 2, Federal Republic of Germany

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Vol. 31, Iss. 12 — 15 June 1985

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