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Green's function calculations of the hyperfine interaction for impurities in metals andfor metallic interfaces
Authors:P. H. Dederichs  P. Lang  K. Willenborg  R. Zeller  N. Papanikolaou  N. Stefanou
Affiliation:(1) Institut für Festkörperforschung, Forschungszentrum Jülich, Postfach 1913, D-5170 Jülich, Germany;(2) Solid State Section, University of Athens, Panepistimioupolis, New Buildings, GR-157 84 Athens, Greece
Abstract:We present local density functional calculations for magnetic impurities andmagnetic monolayers in non-magnetic metals. The calculations employ a multiple scattering (KKR) Green's function method for impurities in the bulk andfor ideal surfaces and interfaces. In particular we discuss the moment formation of 3d and4d impurities in alkali andnoble metals. Special emphasis is put on an accurate calculation of the host polarization around 3d impurities in Cu andPd. While the calculated impurity hyperfine fields in Cu contain rather large errors due to the local density approximation, the induced fields of the Cu atoms agree very well with experiments. We also present similar calculations for magnetic monolayers andthe corre-sponding induced host polarization in Cu andPd.
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