Model calculation of NMR satellite data for iron-group atoms in copper

We report model calculations of NMR satellite data for iron-group impurity atoms in Cu which provide a tractable method for relating the experimentally observed Knight shifts to the structure of the magnetic atoms. This model is based on a three-parameter one-electron screened potential with exchange. For Fe, Mn, and Cr impurities we obtain the positions and widths of Anderson-like scattering resonances and find that the numbers of d electrons are nearly integral and indicate 3d⁷, 3d⁵, and 3d⁴ configurational assignments, respectively. The model gives good agreement with near-neighbor Knight shifts, is consistent with bulk susceptibility and high-temperature resistivity, and in most cases agrees with the axial component of the measured anisotropic Knight shifts. We also relate our results to NMR line-broadening data and near-neighbor quadrupole data. The model is formulated to include the case of impurities without a zero-field magnetic moment and is easily extended to account for trends observed as one moves across the entire iron group.