Document EPL, 82 (2008) 37001
DOI: 10.1209/0295-5075/82/37001
Orbital magnetism in transition metal systems: The role of local correlation effects
S. Chadov1, J. Minár1, M. I. Katsnelson2, H. Ebert1, D. Ködderitzsch1 and A. I. Lichtenstein31 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
jan.minar@cup.uni-muenchen.de
received 19 December 2007; accepted in final form 7 March 2008; published May 2008
published online 15 April 2008
Abstract
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.
© EPLA 2008