Dresden 2006 – wissenschaftliches Programm

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MA: Magnetismus

MA 26: Electron Theory

MA 26.11: Vortrag

Donnerstag, 30. März 2006, 12:45–13:00, HSZ 401

Accounting for correlation effects in the calculation of the spin-orbit induced properties of magnetic transition metals — •Stanislav Chadov¹, Jan Minár¹, Hubert Ebert¹, Leonid Pourovskii², Michael Katsnelson², and Alexander Lichtenstein³ — ¹Department Chemie und Biochemie, Physikalische Chemie, Universität München, Butenandtstr. 5-13, D-81377 München, Germany — ²Institute for Molecules and Materials, Radboud University of Nijmegen, NL-6525 ED Nijmegen, The Netherlands — ³Institut für Theoretische Physik, Universität Hamburg, 20355 Hamburg, Germany

Recently we proposed a charge- and self-energy- self-consistent computational scheme on the basis of the Korringa-Kohn-Rostoker (KKR) multiple scattering theory including many-body effects described by the dynamical mean field theory (DMFT). It was successfully applied to moderately correlated systems, showing the importance to account for the electronic correlations in the calculation of a wide range of their spectroscopic properties (Fano effect, spin-resolved VB-XPS, magneto-optical spectra).

Here we present an extention of the scheme allowing one to consider the influence of electronic correlations on the spin-orbit induced properties by taking into account spin polarization as well as spin-orbit coupling in the many-body solver. The latter is important for systems pocessing both localized and itinerant features as the interplay of relativistic effects and electron-electron correlations makes the calculation of the corresponding electronic properties quite complicated. First results of investigations on 3d transition metals will be presented.