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We present the results of an ab initio study of magnetic properties of Fe, Coand Ni surfaces. In particular, we discuss their electronic structure andmagnetic exchange interactions (Jij), as obtained by means of a combination ofdensity functional theory and dynamical mean-field theory. All studied systemshave a pronounced tendency to ferromagnetism both for bulk and surface atoms.The presence of narrow-band surface states is shown to enhance the magneticmoment as well as the exchange couplings. The most interesting results wereobtained for the Fe surface where the atoms have a tendency to coupleantiferromagnetically with each other. This interaction is relatively small,when compared to interlayer ferromagnetic interaction, and strongly depends onthe lattice parameter. Local correlation effects are shown to lead to strongchanges of the overall shape of the spectral functions. However, they seem tonot play a decisive role on the overall picture of the magnetic couplingsstudied here. We have also investigated the influence of correlations on thespin and orbital moments of the bulk-like and surface atoms. We found thatdynamical correlations in general lead to enhanced values of the orbitalmoment.

Layer-resolved magnetic exchange interactions of surfaces of late 3d elements: effects of electronic correlations