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arXiv · 0803.1000

Orbital magnetism in transition-metal systems: The role of local correlation effects

S. Chadov·J. Minár·M. I. Katsnelson·H. Ebert·D. Ködderitzsch·A. I. Lichtenstein
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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 wide range of studied systems as bulk Fe, Co and Ni, Fe-Co disordered alloys and 3$d$ 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.

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S. Chadov, J. Minár, M. I. Katsnelson, H. Ebert, D. Ködderitzsch, A. I. Lichtenstein. 2008-03-07. Orbital magnetism in transition-metal systems: The role of local correlation effects. https://doi.org/10.1209/0295-5075/82/37001

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