Abstract
Cluster size dependence of X-ray absorption spectra (XAS), X-ray photoemission spectra (XPS), and resonant X-ray emission spectra (RXES) are theoretically studied with a one-dimensional d - p model, which describes qualitatively effects of translational symmetry for nominally d 0 (or f 0 ) compounds such as TiO 2 (CeO 2 ). It is shown that RXES depends more sensitively on the cluster size than XAS and XPS, so that RXES is a useful probe in studying the duality between itinerant and localized characters of 3 d or 4 f electrons. From results calculated by changing the cluster size and parameter values such as p - d hybridization strength, d - d Coulomb interaction etc., it is explained why the experimental Ce 4 f -3 d RXES of CeO 2 is well reproduced by calculations with a single-cation impurity Anderson model, but the Ti 3 d -2 p RXES of TiO 2 is not well reproduced.
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