Theory of Soft X-Ray Resonant Photoemission in d and f Electron Systems

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1. We have calculated the resonant 3d, 3p and 3s photoemission spectra (3d PES,3p PES and 3s PES,respectively) of 3d transition metal monoxides from Cu to Mn, TiO_2 and ferromagnetic Ni at 2p core threshold on the basis of a cluster model including the full multiplet. The charge transfer energy and the interatomic transfer integrals, which are important paramenters of the model, are determined for the oxides by an analysis of experiments without ambiguity. For Ni, we investigate the incident photon energy dependence of the spin polarization of the 6 eV satellite in 3d PES and its meaning. The spin polarization of 3p and 3s PES is found to reflect well the many-body 3d configuration of Ni.2. We have analyzad the recently observed resonant inverse photoemission spectra (IPES) for CeNi_2 and CeRh_3 at the Ce 3d threshold on the basis of the Anderson impurity model including the full multiplet. As a result, the 4f-ligand hopping integral in the presence of 3d core hole must be considerably reduced from that in the absence of the core hole and its configuration dependence is very important to analyze various core level spectra. The calculation is extended to 4f, 5p and 5s PES at the 3d and 4d core threshold, resonant X-ray emission spectra and IPES at the 3d core threshold from trivalent Ce to Tm ions and we showed that these 2nd order processes are very useful in identifying the character of the final state contributing to the spectra.