Bandstructures and Hyperfine Fields of Heusler Alloys

Abstract

The bandstructures were calculated by the local-spin-density (LSD) method for the alloys Cu₂MnAl, Ni₂MnSn, Pd₂MnSn, Pd₂MnSb, Co₂MnSn, Co₂TiSn, Co₂TiAl and Mn₂VAl. We calculated the magnetic moments and the hyperfine fields for these alloys on the basis of the bandstructures. The peak near the Fermi level of the density-of-states (DOS) curve is characteristic for Co in Co₂YZ and plays an important role in determining the magnetic moment and the hyperfine field. For Mn₂VAl, the magnetic moments on Mn and V are antiparallel. Roughly speaking, the calculated hyperfine fields are in good agreement with the experimental ones. However, we evaluate the contribution to the hyperfine field from inner core s-electrons small when we use the LSD method.