First-principles calculation of the effect of atomic disorder on the electronic structure of the half-metallic ferromagnet NiMnSb

D. Orgassa, H. Fujiwara, T. C. Schulthess, and W. H. Butler
Phys. Rev. B 60, 13237 – Published 15 November 1999
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Abstract

The electronic structure of the half-metallic ferromagnet NiMnSb with three different types of atomic disorder is calculated using the layer Korringa-Kohn-Rostoker method in conjunction with the coherent potential approximation. Results indicate the presence of minority-spin states at the Fermi energy for degrees of disorder as low as a few percent. The resulting spin polarization below 100% is discussed in the light of experimental difficulties confirming the half-metallic property of NiMnSb thin films directly.

  • Received 28 June 1999

DOI:https://doi.org/10.1103/PhysRevB.60.13237

©1999 American Physical Society

Authors & Affiliations

D. Orgassa* and H. Fujiwara

  • Center for Materials for Information Technolgy (MINT), The University of Alabama, Tuscaloosa, Alabama 35487-0209

T. C. Schulthess and W. H. Butler

  • Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114

  • *Electronic address: dorgassa@mint.ua.edu

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Vol. 60, Iss. 19 — 15 November 1999

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