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.

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