Abstract
The influence of the spin-orbit coupling (SOC) on the magnetic dipole term T-alpha is studied across a range of systems in order to check whether the T-alpha term can be eliminated from analysis of x-ray magnetic circular dichroism spectra performed via the spin moment sum rule. Fully relativistic Korringa-Kohn-Rostoker Green's function calculations for Co monolayers and adatoms on Cu, Pd, Ag, Pt, and Au (111) surfaces were performed to verify whether the sum over magnetic dipole terms T-x + T-y + T-z is zero and whether the angular dependence of the T-alpha term goes as 3 cos(2) theta - 1. It follows that there are circumstances when the influence of the SOC on T-alpha cannot be neglected even for 3d atoms where the SOC is nominally small. The crucial factor appears to be the dimensionality of the system: For 3d adatoms, the influence of SOC on T-alpha can be significant whereas for monolayers it is always practically negligible. Apart from the dimensionality, hybridization between adatom and substrate states is also important: Small hybridization enhances the importance of the SOC and vice versa.
Item Type: | Journal article |
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Faculties: | Chemistry and Pharmacy > Department of Chemistry |
Subjects: | 500 Science > 540 Chemistry |
ISSN: | 2469-9950 |
Language: | English |
Item ID: | 48242 |
Date Deposited: | 27. Apr 2018, 08:15 |
Last Modified: | 04. Nov 2020, 13:25 |