Magnetic spin form factors of transition metals in the band model and results obtained for iron and nickel

The importance of band structure calculations for the analysis of magnetic spin form factors of paramagnetic and ferromagnetic transition metals is discussed. Especially the Hybridization and Nearly Free Electrons and Tight Bounded Electrons (HNFETB) method is detailed. A better correspondence between the calculated spherical form factors j0(kappa) of Fe and Ni and the experimental results is achieved in comparison with corresponding form factors for free atoms according to Hartree-Fock method. The self-consistent and spin polarized calculations on the basis of the Barth-Hedin exchange and correlation potential result in magnetic moments of 2.04 μ/sub B/ (Fe) and 0.63 μ/sub B/ (Ni)