Dresden 2014 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 30: Experimental methods and magnetic imaging

MA 30.4: Vortrag

Mittwoch, 2. April 2014, 15:45–16:00, HSZ 403

Momentum space anisotropy of electronic correlations in Fe and Ni, an analysis of magnetic Compton profiles — •Liviu Chioncel^1,2, Diana Benea³, Hubert Ebert⁴, Igor Di Marco⁵, and Jan Minar⁴ — ¹Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany — ²Augsburg Center for Innovative Technologies, University of Augsburg, D-86135 Augsburg, Germany — ³Faculty of Physics, Babes-Bolyai University, Kogalniceanustr 1, Ro-400084 Cluj-Napoca, Romania — ⁴Chemistry Department, University Munich, Butenandstr. 5-13, D-81377 Munchen, Germany — ⁵Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Box 516, SE-75120 Uppsala, Sweden

The total and magnetic resolved Compton profiles are analyzed within the combined density functional and dynamical mean field theory for the transition metal elements Fe and Ni. A rather good agreement between the measured and computed Magnetic Compton profiles (MCPs) of Fe and Ni is obtained with the standard Local Spin Density Approximation (LSDA). By including local but dynamic many-body correlations captured by Dynamical Mean Field Theory, the Magnetic Compton profile is further improved. The second moment of the difference of the total Compton profile taken along the same momentum direction has been used to discuss the strength of electronic correlations in Fe and Ni.