Electronic structure and magnetic anisotropy of CrO$_2$

ORAL

Abstract

The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO$_{2}$ is addressed by performing density functional based electronic structure calculations in the local spin density approximation (LSDA) as well as using the LSDA+U method. In both schemes we compute electronic structure, optical conductivity and magnetic anisotropy energy for chromium dioxide. It is shown that the corresponding low-- temperature experimental data are best fitted without accounting for the Hubbard $U$ corrections. We conclude that the ordered phase of CrO$_{2}$ is weakly correlated.

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Authors

  • Antonina Toropova

  • Gabriel Kotliar

    • Rutgers University
    • Center for Materials Theory, Department of Physics and Astronomy, Rutgers University
    • Department of Physics, Rutgers University, Piscataway NJ USA
    • Department of Physics and Astronomy, Rutgers University, 136 Frelinghuysen Road, Piscataway, NJ 08854-8019, USA
    • Center for Materials Theory, Serin Physics Laboratory, Rutgers University, 136 Frelinghuysen Road, Piscataway, New Jersey 08854
    • Physics Department and Center for Materials, Rutgers University, Piscataway NJ USA

  • Sergej Savrasov

    • Department of Physics, New Jersey Institute of Technology

  • Viktor Oudovenko

    • Bogoliubov Laboratory for Theoretical Physics, Joint Institute for Nuclear Research, Russia