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The insufficiency of the charge transfer model for resonant XES in UF4

  • J. G. Tobin,
  • S. W. Yu,
  • D. Sokaras

摘要

Recently, it was suggested that the single-electron charge transfer model (ligand 2p to Uranium 5f transition) could be used to explain the U M4,5 Resonant X-ray Emission Spectroscopy (XES) of uranium dioxide (UO2) and uranium tetrafluoride (UF4) (Tobin et al. (2022) J. Phys. Cond. Matter 34:505601). Here, it is shown that this model produces results inconsistent with a joint consideration of both of the bandgaps of UO2 and UF4 and is thus insufficient to explain the observed behavior. An alternative Raman-based model is proposed.

Graphical abstract