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

Journal Article · Mon Nov 01 04:00:00 EST 1999 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.60.13237· OSTI ID:690741

Orgassa, D; Fujiwara, H ^[1]; Schulthess, T C; Butler, W H ^[2]

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1. Center for Materials for Information Technolgy (MINT), The University of Alabama, Tuscaloosa, Alabama 35487-0209 (United States)
2. Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114 (United States)

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{percent} is discussed in the light of experimental difficulties confirming the half-metallic property of NiMnSb thin films directly. {copyright} {ital 1999} {ital The American Physical Society}

• OSTI ID: 690741
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 19 Vol. 60; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ANTIMONY ALLOYS
ELECTRONIC STRUCTURE
FERMI LEVEL
FERROMAGNETIC MATERIALS
MANGANESE ALLOYS
NICKEL ALLOYS
SPIN FLIP