Neutron magnetic form factor in strongly correlated materials

ORAL

Abstract

We introduce a formalism to compute the neutron magnetic form factor F(q) within a first-principles Density Functional Theory (DFT) + Dynamical Mean Field Theory (DMFT). We use our method to compute the form factor of PuCoGa5. We find that the local physics of this material is described by a mixed valence mechanism of the type observed in elemental Plutonium. This picture explains nicely the experimental neutron form factor of PuCoGa5 and it is consistent with the photo-emission spectra shape and the value of the specific heat linear coefficient.

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Authors

  • Maria Pezzoli

    Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA.

  • Kristjan Haule

    Rutgers University, Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA, Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA., Department of Physics, Rutgers University

  • Gabriel Kotliar

    Rutgers University, Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA, Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA., Department of Physics, Rutgers University