Orbital magnetism in transition metal systems: The role of local correlation effectsS. Chadov1, J. Minár1, M. I. Katsnelson2, H. Ebert1, D. Ködderitzsch1 and A. I. Lichtenstein3
1 Department Chemie und Biochemie, Physikalische Chemie, Universität München Butenandtstr. 5-13, D-81377 München, Germany, EU
2 Institute for Molecules and Materials, Radboud University Nijmegen NL-6525 ED Nijmegen, The Netherlands, EU
3 Institute of Theoretical Physics, University of Hamburg - Germany, EU
received 19 December 2007; accepted in final form 7 March 2008; published May 2008
published online 15 April 2008
The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic density functional theory in combination with the dynamical mean-field theory. In contrast to the previous studies based on the orbital polarization corrections we obtain an improved description of the orbital moments for a wide range of studied systems as bulk Fe, Co and Ni, Fe-Co disordered alloys and 3d impurities in Au. The proposed scheme can give simultaneously a correct dynamical description of the spectral function as well as static magnetic properties of correlated disordered metals.
71.15.Rf - Relativistic effects.
71.20.Be - Transition metals and alloys.
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