Abstract
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.
Original language | English (US) |
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Article number | 115123 |
Journal | Physical Review B |
Volume | 95 |
Issue number | 11 |
DOIs | |
State | Published - Mar 13 2017 |
Externally published | Yes |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics