Based on first-principles calculations, the electronic structure of CuTeO4 is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO4 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 Te6+ with Sb5+ would be of significant interest.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics