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Ab Initio Calculations of the Optical and Magneto-Optical Properties of Moderately Correlated Systems: Accounting for Correlation Effects

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Physics of Spin in Solids: Materials, Methods and Applications

Part of the book series: NATO Science Series II: Mathematics, Physics and Chemistry ((NAII,volume 156))

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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Perlov, A., Chadov, S., Ebert, H., Chioncel, L., Lichtenstein, A., Katsnelson, M. (2004). Ab Initio Calculations of the Optical and Magneto-Optical Properties of Moderately Correlated Systems: Accounting for Correlation Effects. In: Halilov, S. (eds) Physics of Spin in Solids: Materials, Methods and Applications. NATO Science Series II: Mathematics, Physics and Chemistry, vol 156. Springer, Dordrecht. https://doi.org/10.1007/1-4020-2708-7_11

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