Theory of Resonant X-Ray Emission Spectra in Ce Compounds

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Abstract
We analyze 4 f →3 d resonant X-ray emission spectra (4 f →3 d RXES) of Ce compounds, CeF 3 and CeO 2 , by means of impurity Anderson model with multiplet effects. The calculation is based on the second-order optical formula, and the results are in satisfactory agreement with recent experimental data. It is to be emphasized that the effect of configuration-dependent hybridization is important in order to explain the experimental results of 3 d -XAS and 4 f →3 d RXES of CeO 2 , consistently. The calculations of 3 d -XPS, valence-XPS( v -XPS), BIS, 4 d -XPS and 4 d -XAS are also made for CeO 2 with the new parameter values including the configuration-dependent hybridization, and the results are in better agreement with experimental data than previous analyses, especially for the insulating energy gap determined by the v -XPS and BIS.