X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, Lz, for transition metal bulk and surfaces were studied for both ground state and core hole excitations using a highly precise local density approach. For Fe(001), we predict a double peak structure in both the MCD and total absorption spectra and a strong enhancement of Iz. Surprisingly, the MCD orbital sum rule is found to be valid to within (510)%. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure Lz.
ASJC Scopus subject areas
- Physics and Astronomy(all)