Abstract

The electronic structure of magnetic transition metal impurities (Fe, Co, Ni) in Cu is calculated by means of a 13 and 19 atom cluster approach. The local cluster density of states (CDOS) for the Cu clusters agrees very well with the respective bulk and surface DOS of Cu metal. The local Fe moment of 3μ B is in good agreement to experiment and Green's function calculations. The spin density shows a negative polarization of the conduction electrons beside the strong localized impurity moment.

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