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Lecture M. Katsnelson


25 mei 2005 FWN-Building 5118.0153, Nijenborgh 4, 9747 AG, Groningen
Speaker:Prof. M. Katsnelson
Affiliation:Department of Theoretical Physics, RU Nijmegen
Title:Correlation effects in real materials
Date:Wed May 25, 2005
Location:FWN-Building 5118.0153
Host:R. van Leeuwen
Telephone:+31 50 363 7754


A novel approach to electronic correlations and magnetism of crystals based on the realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the "local density approximation'' (LDA) and the dynamical mean field theory (DMFT) approaches. Using numerically exact QMC solution of effective DMFT multi-orbital quantum-impurity problem, a successful description of the electronic structure and finite temperature magnetism of transition metals has been obtained. A simplified perturbation LDA+DMFT scheme which combined the T-matrix and fluctuation-exchange approximation (SPTF) is discussed. Correlation effects in transition metals (Fe,Ni,Cr,Mn) and half-metallic Heussler alloys are considered, in particular, orbital Kondo-resonance on Cr(001) surface and nonquasiparticle states in the minority-spin gap in NiMnSb.
Laatst gewijzigd:22 oktober 2012 14:30