Spin Density Patterns around Impurity Atoms in Iron and Nickel

The spatial pattern of spin density disturbance around six different impurities in nickel (Al, Si, V, Cr, Mn, and Fe) and around seventeen impurities in iron (Al, Si, Ti, V, Cr, Mn, Co, Ni, Mo, Ru, Rh, Pd, W, Re, Os, Ir, and Pt) has been investigated. Al, Si, V, and Cr impurities in nickel reduce the spin on neighboring nickel atoms very markedly while for iron impurities in nickel the disturbance is essentially confined to the solute atom site. The pattern around many impurities in iron is more complex. V, Cr, Co, Ni, Mo, Ru, Rh, Pd, W, Re, Os, Ir, and Pt produce a small increase in moment on some iron atoms in the neighborhood of the impurity site. Those transition elements that lie to the right of iron in the periodic table, Co, Ni, etc., seem to produce a disturbance in the iron matrix which is always positive while the remaining elements mentioned above give a positive disturbance which is apprently confined to a region about 5 Ȧ distant from the impurity. All the solutes produce a loss of moment relative to pure iron at the impurity sites.

Spin Density Patterns around Impurity Atoms in Iron and Nickel Journal Articles