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