Disorder dependence of the magnetic moment of the half-metallic ferromagnet NiMnSb from first principles

Journal Article · Mon May 01 04:00:00 EDT 2000 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.372550· OSTI ID:20216255

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

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

Using half-metallic ferromagnets in spin-dependent devices, like spin valves and ferromagnetic tunnel junctions, is expected to increase the device performance. However, using the half-metallic ferromagnet NiMnSb in such devices led to much less than ideal results. One of the possible sources for this behavior is atomic disorder. First-principles calculations of the influence of atomic disorder on the electronic structure of NiMnSb underline the sensitivity of half-metallic properties in NiMnSb to atomic disorder. In this article, we report on the disorder dependence of the total magnetic moment calculated by applying the layer Korringa-Kohn-Rostoker method in conjunction with the coherent potential approximation. We consider the following types of disorder: (1) intermixing of Ni and Mn, (2) partial occupancy of a normally vacant lattice site by Ni and Mn, and (3) partial occupancy of this site by Mn and Sb. In all cases the composition is kept stoichiometric. All three types of disorder decrease the moment monotonically with increasing disorder levels. For the experimentally seen disorder of 5% Mn and 5% Sb on the normally vacant lattice site, the total moment is decreased by 4.1%. The results suggest that precise measurement of the saturation magnetization of NiMnSb thin films can give information on the disorder. (c) 2000 American Institute of Physics.

• OSTI ID: 20216255
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 9 Vol. 87; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ANTIMONY ALLOYS
ELECTRONIC STRUCTURE
FERROMAGNETIC MATERIALS
MAGNETIC MOMENTS
MAGNETIZATION
MANGANESE ALLOYS
NICKEL ALLOYS
SPIN ORIENTATION
THEORETICAL DATA