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Pu 4f XPS spectra analyzed in the Anderson impurity model

Technical Report ·
DOI:https://doi.org/10.2172/296778· OSTI ID:296778
;  [1];  [2]
  1. Los Alamos National Lab., NM (United States). Nuclear Materials Technology Div.
  2. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics
X-ray photoemission spectra of the {alpha},{beta},{gamma}, and {delta} phases of Pu have been analyzed using the Gunnarsson-Schonhammer implementation of the Anderson impurity model. Changes in the relative intensities of the two spectral features representing mixed f{sup 5} and f{sup 6} final states are in reasonable agreement with the model`s predictions. The coulomb terms, U{sub ff} and U{sub fc}, are quite consistent with those derived from atomic and LDA calculations. Multiplet structure, which agrees with atomic calculations for 4f{sup 13}5f{sup 5}, strongly suggests 5f localization in the final state.
Research Organization:
Los Alamos National Lab., NM (United States)
Sponsoring Organization:
USDOE, Washington, DC (United States)
DOE Contract Number:
W-7405-ENG-36
OSTI ID:
296778
Report Number(s):
LA-UR--98-2152; CONF-980745--; ON: DE99000749
Country of Publication:
United States
Language:
English