Electronic structure of: X-ray fluorescence emission study

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The results of measurements of O (Formula presented) total x-ray-fluorescence yield and Ru (Formula presented) and O (Formula presented) x-ray fluorescence emission spectra of (Formula presented) and (Formula presented) are presented. An excitation energy dependence of the O (Formula presented) x-ray emission spectra (XES) was observed in both compounds. The energy dependence of the spectra is attributed to the excitation of inequivalent O (1) in-plane and O(2) apical oxygens. The O(1) (Formula presented) and O(2) (Formula presented) density of states distribution in the valence band of (Formula presented) was found to be different in accordance with the results of band-structure calculations. O(1) (Formula presented) states are found to be mixed with Ru (Formula presented) states providing the formation of (Formula presented) bonds. While the O (Formula presented) XES spectra are in fair agreement with band structure calculations, the theoretical two-peak distribution of Ru (Formula presented) XES is found to be different with respect to the intensity ratios and widths of the peaks of Ru (Formula presented) XES. These differences are attributed to a decrease of intensity of radiative (Formula presented) transitions in the vicinity of the Fermi level (where the localization of Ru (Formula presented) states is higher than at the bottom of the valence band) due to a strong Koster-Kronig transition. © 1998 The American Physical Society.

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Physical Review B - Condensed Matter and Materials Physics

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