Abstract
Recent results on magnetic and spectroscopic properties of transitionmetals, alloys and their surfaces which were obtained by using theLSDA + DMFT (local spin density approximation plus dynamical mean field theory) approach are reviewed.Corresponding calculations exploit the various advantageous features offered by anLSDA + DMFT implementation on the basis of the KKR (Korringa–Kohn–Rostoker) band structuremethod. This fully self-consistent, with respect to charge and self-energy, approach allowsone to investigate the impact of correlation effects in ordered as well as disorderedsystems. For the latter case the coherent potential approximation is used. Thefully relativistic formulation implemented for space filling potentials gives usthe opportunity to study various ground state properties, for example, orbitalmagnetic moments and total energies. Here, in addition, it is demonstrated thatthe combination of the one-step model of valence band photoemission with theLSDA + DMFT approach gives detailed insight, in particular for the angle-resolved mode of thisspectroscopy.
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