2011/02/13 by A. B. Shick, Alexander B. Shick, Jindřich Kolorenč +5
Physics and Astronomy · #Magnetic properties of thin films #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.84.113112
published as Phys. Rev. B 84, 113112 (2011) · 5 pages, 2 figures
arxiv created 2011/02/13 · openalex publication_date 2011/09/28 · arxiv updated 2012/03/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
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 \ensuremathγS\ensuremath≈0.025 suggests that there is no giant extrinsic spin Hall effect due to scattering on iron impurities in gold.