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

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. [S0163-1829(99)04743-8].