AVS 57th International Symposium & Exhibition
    Actinides and Rare Earths Topical Conference Tuesday Sessions
       Session AC+MI-TuM

Paper AC+MI-TuM2
An Alternative Model for Electron Correlation in Pu

Tuesday, October 19, 2010, 8:20 am, Room Isleta

Session: Actinide and Rare Earth Magnetic Interfaces & Nanostructures
Presenter: P. Soderlind, Lawrence Livermore National Laboratory
Authors: S.W. Yu, Lawrence Livermore National Laboratory
J.G. Tobin, Lawrence Livermore National Laboratory
P. Soderlind, Lawrence Livermore National Laboratory
Correspondent: Click to Email
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. See J. Phys.: Condens. Matter 20 (2008) 422202 for more detail. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This work was

supported by the DOE Office of Science, Office of Basic Energy Science, Division of Materials Science and Engineering.