Berlin 2015 – scientific programme
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MA: Fachverband Magnetismus
MA 15: Magnetic measurement methods
MA 15.2: Talk
Tuesday, March 17, 2015, 09:45–10:00, H 1012
Ab initio calculation of Spin Polarized Low-Energy Electron Diffraction for the systems Fe(001) and Fe(001)-p(1x1)-O — •Stephan Borek1, Jürgen Braun1, Ján Minár1,3, Christian Langenkämper2, Christian Thiede2, Anke B. Schmidt2, Markus Donath2, and Hubert Ebert1 — 1Ludwig-Maximilians-Universität München — 2Westfälische-Wilhelms Universität Münster — 3University of West Bohemia, Pilsen
For the implementation of a new type of spin detector at Bessy II a spin filter using the principle of exchange and spin-orbit scattering has to be designed. Among the suitable materials a promising candidate is Fe(001)-p(1x1)-O. The passivated surface has a long lifetime in vacuum and shows a high figure of merit. We will demonstrate the impact of the passivation of a Fe(001) surface on the diffraction patterns by calculating the Spin Polarized Very Low Energy Electron Diffraction (VSPLEED). We investigated two different types of scattering geometries where according to symmetry relations the first one has only exchange scattering whereas for the second both exchange and spin-orbit scattering occurs. Beside we investigated the effect of strong correlations on the basis of the dynamical mean field theory (DMFT). Complementary is the calculation of the so-called target current which also gives insight into the electronic structure. We calculated the target current for the system Fe(001)-p(1x1)-O for a large range of polar angle and kinetic energy. For both the spin polarized diffraction of electrons at the Fe(001)-p(1x1)-O surface as well as for the target current a comparison between theory and experiment will be made.