L3 edge X-ray absorption spectrum of CeO2: crystal structure effects

✍ Scribed by A.V. Soldatov; T.S. Ivanchenko; A. Kotani; A. Bianconi

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 142 KB
• Volume: 208-209
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/0921-4526(94)00633-7

✦ Synopsis

We report the interpretation of all spectral features of Ce L3 XANES over the 40 eV range. The wave function of the excited electron in the final states of the Ce L3 edge XANES spectrum is found to be determined by the multiple-scattering processes in a large size cluster formed by at least 45 atoms. The many-body final states for the 2p--* 5, ed transition, arising from the configuration interaction due to mixing of Ce 4f and O 2p valence orbitals, have been recalculated taking into account the crystal field splitting of the 5,ed states. The results give full explanation of the low energy shoulder on the Ce L 3 XAS white line that was object of a long-standing discussion.