Theory of KL23L23 Auger spectra around Ti-K pre-peaks of TiO<F>2</F>

Ti-K pre-peaks and Ti KL23L23 resonant Auger spectra are theoretically investigated by means of a combined model between a TiO<F>6</F> charge-transfer cluster with full-multiplet interactions and an LCAO density-of-state calculation for a Ti<F>445</F>O<F>890</F> cluster. The results for Ti-K pre-peaks excellently reproduce both the spectral shape and incident-photon polarization dependence observed in the experiment by Danger et al. The present work corresponds to an improved calculation as compared to our previous study. The results for Ti KL23L23 resonant Auger spectra also reproduce the features observed by Danger et al., especially the incident-photon energy and polarization dependence of the energy positions and the intensities of the Auger peaks. These facts mean that the mechanism for Ti-K pre-peaks, which we proposed earlier, is also applicable to the KL23L23 resonant Auger processes. [Copyright &y& Elsevier]