Abstract
X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, [l angle][ital L][sub [ital z]][r angle], 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 [l angle][ital I][sub [ital z]][r angle]. Surprisingly, the MCD orbital sum rule is found to be valid to within (5--10)%. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure [l angle][ital L][sub [ital z]][r angle].
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