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arxiv: 1612.03817 · v1 · pith:SUH3PGYYnew · submitted 2016-12-12 · ❄️ cond-mat.supr-con · cond-mat.str-el

Electronic structure of CuTeO₄ and its relationship to cuprates

classification ❄️ cond-mat.supr-con cond-mat.str-el
keywords cupratescuteoelectronicstructuresignificantalongantiferromagneticcalculations
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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.

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