Electronic structure and magnetic properties of selected lanthanide and actinide intermetallic Laves-phase alloys

Olle Eriksson, Börje Johansson, M. S. S. Brooks, and H. L. Skriver
Phys. Rev. B 40, 9519 – Published 15 November 1989
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Abstract

The electronic structure and magnetic properties of some yttrium and uranium Laves-phase pseudobinary alloys with 3d elements have been calculated. The calculations were done by simulating the electronic structure of the alloy by that of an ordered compound with the same stoichiometry. In general a good agreement between the experimental and theoretical magnetic moment was found, indicating that the spurious long-range order of the calculations is of minor importance. A comparison between the present supercell cluster approach and the virtual-crystal approximation for the electronic structure and cohesive properties is presented for Y(Fe0.75Co0.25)2 and U(Fe0.5Ni0.5)2.

  • Received 4 April 1989

DOI:https://doi.org/10.1103/PhysRevB.40.9519

©1989 American Physical Society

Authors & Affiliations

Olle Eriksson and Börje Johansson

  • Condensed Matter Theory Group, Department of Physics, University of Uppsala, P.O. Box 530, S-751 21 Uppsala, Sweden

M. S. S. Brooks

  • European Institute for Transuranium Elements, P.O. Box 2340, D-7500 Karlsruhe, Federal Republic of Germany and Condensed Matter Theory Group Uppsala, Sweden

H. L. Skriver

  • Laboratory of Applied Physics, Technical University of Denmark, DK-2800
  • Laboratory of Applied Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark

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Vol. 40, Iss. 14 — 15 November 1989

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