SURFACE ENHANCEMENT OF 3d, 4d, AND 5dIMPURITY MOMENTS AT CuANDAg(00l)SURFACES

V.S. Stepanyuk, P. Lang, K. Wildberger, R. Zeller and P.H. Dederichs
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V.S. Stepanyuk: Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany
P. Lang: Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany
K. Wildberger: Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany
R. Zeller: Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany
P.H. Dederichs: Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany

Surface Review and Letters (SRL), 1994, vol. 01, issue 04, 477-479

Abstract: We presentab initiocalculations for the electronic structure of 3d, 4d, and 5d transition metal impurities at the (001) surface of Cu and Ag. Our focus is on the surface enhancement of the local impurity moments. The calculations are performed within local density functional theory and use a KKR Green's function method for impurities at surfaces. For 3d impurities we find a sizeable enhancement of the local moments, being most important for V and Cr. Extremely large effects are found for 4d and 5d impurities, which in general are nonmagnetic in the bulk. On the Ag(001) surface we find that Zr, Nb, Mo, Tc, Ru, Ta, W, Re, and Os are magnetic. Some of adatoms (Nb, Mo, Tc, W, Re) have "giant" magnetic moments between 3 and 4μB.

Date: 1994
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DOI: 10.1142/S0218625X94000473

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