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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 Chioncel^3,4, 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.