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Ab-initio calculations of the optical and magneto-optical properties of moderately correlated systems: accounting for correlation effects

A. Perlov·S. Chadov·H. Ebert·L. Chioncel·A. I. Lichtenstein·M. I. Katsnelson
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Abstract

The influence of dynamical correlation effects on the magneto-optical properties of ferromagnetic Fe and Ni has been investigated. In addition the temperature dependence of the self-energy and its influence on the DOS and optical conductivity is considered. Magneto-optical properties were calculated on the basis of the one-particle Green's function, which was obtained from the DMFT-SPTF procedure. It is shown that dynamical correlations play a rather important role in weakly correlated Fe and substantially change the spectra for moderately correlated Ni. Magneto-optical properties obtained for both systems are found in better agreement with experiment than by conventional LDA calculations.

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A. Perlov, S. Chadov, H. Ebert, L. Chioncel, A. I. Lichtenstein, M. I. Katsnelson. 2004-01-27. Ab-initio calculations of the optical and magneto-optical properties of moderately correlated systems: accounting for correlation effects. https://doi.org/10.1016/j.jmmm.2003.11.224

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