Atomic order and magnetization distribution in the half metallic and nearly half metallic C1(b) compounds NiMnSb and PdMnSb.

Polarized neutron diffraction has been used to study the magnetization distribution in two isostructural inter-metallic compounds NiMnSb and PdMnSb. Band structure calculations have predicted that whereas the former should be a half metallic ferromagnet the latter should not. Measurements made at 5 K on different crystals show that disorder can occur between the A (Mn) and B (Sb) sites in both alloys and in the case of NiMnSb, by partial occupation of the void D sites by Ni. In all the crystals most of the moment was found on the Mn atoms in the A sites; in NiMnSb it is due to spin only but in PdMnSb there is evidence for a significant orbital contribution (g = 2.22). The magnitudes of the moments associated with each atom are in fair agreement with the theoretical values; however, the distribution of magnetization around the Mn atoms is found to have nearly spherical symmetry (40% e(g)) rather than the 50% e(g) character expected from the band structure.