Abstract
We present ab initio calculations for orbital moments and anisotropy energies of and 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 series, and for Co, and, in the series, and 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