Multiple-scattering approach to the M-edge x-ray-absorption spectra of UO2 and UCl4

J. Guo*, D. E. Ellis, E. Alp, L. Soderholm, G. K. Shenoy

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

The M-edge x-ray-absorption near-edge spectra was calculated for bulk UO2 and gas-phase UCl4 from a multiple-scattering approach within the muffin-tin potential approximation. The muffin-tin potential was constructed from the self-consistent relativistic discrete-variational X potential. The spectra were interpreted by analyzing the photoelectron-trapping time in different channels inside each atomic sphere. The energy levels of bound states down to the valence levels of the ligands were calculated within the same framework as the continuum in order to set the absolute energy scale. The calculated spectra were compared and found to agree quantitatively with our experimental results.

Original languageEnglish (US)
Pages (from-to)6125-6139
Number of pages15
JournalPhysical Review B
Volume39
Issue number9
DOIs
StatePublished - 1989

ASJC Scopus subject areas

  • Condensed Matter Physics

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