ALL-ELECTRON, LINEAR-RESPONSE THEORY OF LOCAL ENVIRONMENT EFFECTS IN MAGNETIC, METALLIC ALLOYS AND MULTILAYERS

We present a theoretical framework for describing atomic short-range o rder and its effect upon such quantities as magnetization and hyperfin e fields in magnetic alloys. All electronic effects are accurately des cribed from a 'first-principles', density functional formalism, within the restriction of a rigid, uniform lattice. These effects include th e filling of the spin polarized electronic states, Fermi surface contr ibutions, and the rearrangement of charge and changes to the magnetiza tion as the chemical composition of the alloy fluctuates. We have calc ulated the magnetochemical response for bulk Fe87V13 and Cr70Fe30 magn etic alloys to compare to those obtained from spin polarized neutron s cattering experiments. We also show the utility of these response func tions for investigating the changes in, for example, the moments and h yperfine fields for multilayers with varying textures in the case of F eV.