Orbital magnetic moment and extrinsic spin Hall effect for iron impurities in gold

We report electronic structure calculations of an iron impurity in a gold host. The spin, orbital, and dipole magnetic moments were investigated using the local density approximation (LDA) + U correlated band theory. We show that the around-mean-field LDA + U reproduces the x-ray magnetic circular dichroism (XMCD) experimental data well and does not lead to the formation of a large orbital moment on the Fe atom. Furthermore, exact diagonalization of the multiorbital Anderson impurity model with the full Coulomb interaction matrix and the spin-orbit coupling is performed in order to estimate the spin Hall angle. The obtained value gamma(S) approximate to 0.025 suggests that there is no giant extrinsic spin Hall effect due to scattering on iron impurities in gold.