Abstract
Magnetic circular dichroism (MCD) of x-ray absorption spectroscopy (XAS) at Ce L 2,3 edges in the typical mixed valence compound CeFe 2 is theoretically studied by using the impurity Anderson model combined with a cluster approach. It is found that the energy-dependent polarization of Ce 5 d states due to mixing with spin-polarized Fe 3 d states is indispensable for explaining the spectra. Our calculations reproduce well the two-peak structure observed in XAS and MCD experiments, especially their energy position, spectral width and energy separation of the two peaks. For a detailed analysis of these, the Coulomb interactions - U d c (between a 5 d electron and a core hole) and U f d (between a 4 f electron and a 5 d electron) play a special role.
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