期刊
出版社
IOP PUBLISHING LTD
DOI: 10.1088/1742-6596/430/1/012117
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资金
- KIT
- Helmholtz Association of German Research Centers [VH-NG-734]
High-energy resolution X-ray absorption spectroscopy (HR-XAS) and Resonant inelastic X-ray scattering (RIXS) combined with quantum theoretical tools are gaining importance for understanding electronic and coordination structures of actinide (An) and lanthanide (Ln) materials. HR-XAS is successfully used to remove lifetime broadening by registering the partial fluorescence yield emitted by the sample, thereby yielding highly resolved X-ray absorption near edge structure spectra (HR-XANES), which often display resonant features not observed in conventional XANES. We demonstrate the structural characterization capabilities of these novel techniques by comparative discussion of U M-4/L-3-HR-XANES and L-3-valence band RIXS (L-3-VB-RIXS) spectra of two model U(VI) minerals. We show that the ab initio multiple scattering theory based code FEFF9.5 is an effective tool for calculations of An and Ln L-3-HR-XANES and L-3-RIXS spectra as it successfully reproduces dipole and quadrupole transitions in the same spectrum.
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