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

Research paper by Antia S. Botana, Michael R. Norman

Indexed on: 12 Dec '16Published on: 12 Dec '16Published in: arXiv - Physics - Superconductivity



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.