On the electronic configuration in Pu: spectroscopy and theory

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Photoelectron spectroscopy, synchrotron-radiation-based x-ray absorption, electron energy-loss spectroscopy, and density-functional calculations within the mixed-level and magnetic models, together with canonical band theory have been used to study the electron configuration in Pu. These methods suggest a 5f{sup n} configuration for Pu of 5 {le} n < 6, with n {ne} 6, contrary to what has recently been suggested in several publications. We show that the n = 6 picture is inconsistent with the usual interpretation of photoemission and x-ray absorption spectra. Instead, these spectra support the traditional conjecture of a 5f{sup 5} configuration in Pu as is obtained by density-functional ... continued below

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Tobin, J G; Soderlind, P; Landa, A; Moore, K T; Schwartz, A J; Chung, B W et al. October 11, 2006.

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Photoelectron spectroscopy, synchrotron-radiation-based x-ray absorption, electron energy-loss spectroscopy, and density-functional calculations within the mixed-level and magnetic models, together with canonical band theory have been used to study the electron configuration in Pu. These methods suggest a 5f{sup n} configuration for Pu of 5 {le} n < 6, with n {ne} 6, contrary to what has recently been suggested in several publications. We show that the n = 6 picture is inconsistent with the usual interpretation of photoemission and x-ray absorption spectra. Instead, these spectra support the traditional conjecture of a 5f{sup 5} configuration in Pu as is obtained by density-functional theory. We further argue, based on 5f-band filling, that an n = 6 hypothesis is incompatible with the position of Pu in the actinide series and its monoclinic ground-state phase.

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PDF-file: 29 pages; size: 1 Mbytes

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  • Journal Name: Journal of Physics: Condensed Matter, vol. 20, N/A, February 25, 2008, pp. 125204; Journal Volume: 20

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  • Report No.: UCRL-JRNL-225355
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 936950
  • Archival Resource Key: ark:/67531/metadc894749

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  • October 11, 2006

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  • Sept. 27, 2016, 1:39 a.m.

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  • Nov. 30, 2016, 2:42 p.m.

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Tobin, J G; Soderlind, P; Landa, A; Moore, K T; Schwartz, A J; Chung, B W et al. On the electronic configuration in Pu: spectroscopy and theory, article, October 11, 2006; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc894749/: accessed October 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.