Theoretical Form Factors of 3d Transition Metals

Abstract

X-ray form factors of V, Cr, Fe, Ni and Cu, and magnetic form factors of Ni are calculated from the change density distributions obtained by the band calculation. The results depend much on the potential used, but not on the method, because Green function method gives almost the same results as APW method, if the potential is the same. Here, the form factors are evaluated from the wave functions obtained by the Green function method with the self-consistent potential. Then, the theoretical results are compared with those obtained by the experiments.