Dresden 2014 – scientific programme
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MA: Fachverband Magnetismus
MA 30: Experimental methods and magnetic imaging
MA 30.4: Talk
Wednesday, April 2, 2014, 15:45–16:00, HSZ 403
Momentum space anisotropy of electronic correlations in Fe and Ni, an analysis of magnetic Compton profiles — •Liviu Chioncel1,2, 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.