An Alternative Model for Electron Correlation in Pu

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Description

Using a density functional theory based approach that treats the 5f electrons relativistically, a Pu electronic structure with zero net magnetic moment is obtained, where the 5f orbital and 5f spin moments cancel each other. By combining the spin and orbital specific densities of states with state, spin and polarization specific transition moments, it is possible to reconstruct the experimentally observed photoemission spectra from Pu. Extrapolating to a spin-resolving Fano configuration, it is shown how this would resolve the extant controversy over Pu electronic structure.

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PDF-file: 14 pages; size: 0.8 Mbytes

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Yu, S; Tobin, J & Soderlind, P October 23, 2007.

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Description

Using a density functional theory based approach that treats the 5f electrons relativistically, a Pu electronic structure with zero net magnetic moment is obtained, where the 5f orbital and 5f spin moments cancel each other. By combining the spin and orbital specific densities of states with state, spin and polarization specific transition moments, it is possible to reconstruct the experimentally observed photoemission spectra from Pu. Extrapolating to a spin-resolving Fano configuration, it is shown how this would resolve the extant controversy over Pu electronic structure.

Physical Description

PDF-file: 14 pages; size: 0.8 Mbytes

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  • Journal Name: J. Phys. Cond. Matter- Fast Track Commun, vol. 20, n/a, September 16, 2008, pp. 422202; Journal Volume: 20; Journal Issue: 42

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  • Report No.: UCRL-JRNL-235801
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 944357
  • Archival Resource Key: ark:/67531/metadc895275

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  • October 23, 2007

Added to The UNT Digital Library

  • Sept. 27, 2016, 1:39 a.m.

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  • Dec. 2, 2016, 7:15 p.m.

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Yu, S; Tobin, J & Soderlind, P. An Alternative Model for Electron Correlation in Pu, article, October 23, 2007; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc895275/: accessed September 22, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.