Volume 82, Number 3, May 2008
Article Number 37001
Number of page(s) 6
Section Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties
Published online 15 April 2008
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. 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.

© EPLA 2008