Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions

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This article discusses many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions.

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6 p.

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Ilton, Eugene S. & Bagus, Paul S. May 31, 2005.

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This article discusses many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions.

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6 p.

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Copyright 2005 American Physical Society. The following article appeared in Physical Review B, 71:19; http://prb.aps.org/abstract/PRB/v71/i19/e195121

Abstract: A strictly ab initio many-electron theory was used to calculate the 4f x-ray photoelectron spectroscopy (XPS) of the free U5+ and U4+ ions. The calculations, based on relativistic Dirac-Fock self-consistent field (DF-SCF) and Dirac configuration interaction (DCI) wave functions (WF's), indicate that the atomic spectra have a considerable multiplet structure. However, the multiplet splitting, which is mainly manifest as a broadening of the 4f5/2 and 4f7/2 lines, is not as strong as for the first-row transition metals. As expected, the U4+ primary peaks are broader and have more associated satellite structure than does U5+. A comparison of a synthetic spectrum for U4+ with the observed XPS of UO2 indicates that interatomic, solid-state, effects may decrease the multiplet and spin-orbital splitting, relative to the free ion. Notably, the 7 eV satellite characteristic of UO2 is absent from the calculated XPS of U4+.

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  • Physical Review B, 2005, College Park: American Physical Society

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  • Publication Title: Physical Review B
  • Volume: 71
  • Issue: 19
  • Pages: 6
  • Peer Reviewed: Yes

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  • May 31, 2005

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  • April 2, 2012, 4:46 p.m.

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  • April 2, 2014, 3:56 p.m.

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Ilton, Eugene S. & Bagus, Paul S. Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions, article, May 31, 2005; [College Park, Maryland]. (digital.library.unt.edu/ark:/67531/metadc78326/: accessed August 20, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.