Physics – Condensed Matter – Materials Science
Scientific paper
2011-02-13
Phys. Rev. B 84, 113112 (2011)
Physics
Condensed Matter
Materials Science
5 pages, 2 figures
Scientific paper
10.1103/PhysRevB.84.113112
We report electronic structure calculations of an iron impurity in gold host. The spin, orbital and dipole magnetic moments were investigated using the LDA+$U$ correlated band theory. We show that the {\em around-mean-field}-LDA+$U$ reproduces the XMCD experimental data well and does not lead to formation of a large orbital moment on the Fe atom. Furthermore, exact diagonalization of the multi-orbital 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 $\gamma_S \approx 0.025$ suggests that there is no giant extrinsic spin Hall effect due to scattering on iron impurities in gold.
Janis Vaclav
Kolorenc Jindrich
Lichtenstein Alexander I.
Shick Alexander B.
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