Electronic structure of CuTeO$_4$ and its relationship to cuprates

ORAL

Abstract

Based on first principles calculations, the electronic structure of CuTeO$_4$ is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO$_4$ is similar to these cuprates, exhibiting a quasi two dimensional electronic structure that involves hybridized Cu-$d$ and O-$p$ states in the vicinity of the Fermi level, along with an antiferromagnetic insulating ground state. Hole doping this material by substituting Te$^{6+}$ with Sb$^{5+}$ would be of significant interest.

*This work was supported by the Center for Emergent Superconductivity, an Energy Frontier Research Center funded by the US DOE, Office of Science, under Award No. DE-AC0298CH1088

Authors

  • Michael R. Norman

    • Argonne Natl Lab
    • Materials Science Division, Argonne National Laboratory
    • Argonne National Laboratory
  • Antia S. Botana

    • Materials Science Division, Argonne National Laboratory
    • Argonne National Laboratory