Berlin 2012 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 25: Electron Theory of Magnetism
MA 25.1: Vortrag
Mittwoch, 28. März 2012, 09:30–09:45, H 0112
Magnetic Compton profiles of Fe and Ni corrected by dynamical electron correlations — •Diana Benea1, Jan Minar2, Serghey Mankovsky2, Liviu Chioncel3,4, and Hubert Ebert2 — 1Faculty of Physics, Babes-Bolyai University, Cluj-Napoca, Romania — 2Chemistry Department, University of Munich, Germany — 3Augsburg Center for Innovative Technologies, University of Augsburg, Germany — 4Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Germany
Magnetic Compton profiles (MCPs) of Ni and Fe have been calculated using a combined Density Functional and many-body theory approach. At the level of the local spin density approximation the theoretical MCPs does not describe correctly the experimental results around the zero momentum transfer. In this work we demonstrate that inclusion of electronic correlations as captured by Dynamical Mean Field Theory (DMFT) improves significantly the agreement between the theoretical and the experimental MCPs. In particular, an energy decomposition of Ni MCPs gives indication of spin polarization and intrinsic nature of Ni 6 eV satellite, a genuine many-body feature.