Strongly Enhanced Orbital Moments and Anisotropies of Adatoms on the Ag(001) Surface

B. Nonas, I. Cabria, R. Zeller, P. H. Dederichs, T. Huhne, and H. Ebert
Phys. Rev. Lett. 86, 2146 – Published 5 March 2001
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Abstract

We present ab initio calculations for orbital moments and anisotropy energies of 3d and 5d adatoms on the Ag(001) surface, based on density functional theory, including Brooks' orbital polarization (OP) term, and applying a fully relativistic Korringa-Kohn-Rostoker–Green's function method. In general, we find unusually large orbital moments and anisotropy energies, e.g., in the 3d series, 2.57μB and +74meV for Co, and, in the 5d series, 1.78μB and +42meV for Os. These magnetic properties are determined mainly by the OP and even exist without spin-orbit coupling.

  • Received 31 August 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.2146

©2001 American Physical Society

Authors & Affiliations

B. Nonas, I. Cabria, R. Zeller, and P. H. Dederichs

  • Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany

T. Huhne and H. Ebert

  • Institut für Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München, Germany

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Vol. 86, Iss. 10 — 5 March 2001

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