Electronic structure of CuTeO4 and its relationship to cuprates

Botana, Antia S.; Norman, Michael R.

doi:10.1103/PhysRevB.95.115123

Title: Electronic structure of ${CuTeO}_{4}$ and its relationship to cuprates

Journal Article · Mon Mar 13 00:00:00 EDT 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.95.115123· OSTI ID:1352604

Botana, Antia S. ^[1]; Norman, Michael R. ^[1]

Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division

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. Lastly, hole- doping this material by substituting Te⁶⁺ with Sb⁵⁺ would be of significant interest.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Emergent Superconductivity (CES)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC02-98CH1088; AC0298CH1088

OSTI ID:: 1352604

Alternate ID(s):: OSTI ID: 1346763

Journal Information:: Physical Review B, Vol. 95, Issue 11; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 4 works

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Effects of different exchanging ions on the band structure and photocatalytic activity of defect pyrochlore oxide: a case study on KNbTeO ₆ Waehayee, Anurak; Watthaisong, Panuwat; Wannapaiboon, Suttipong Catalysis Science & Technology, Vol. 10, Issue 4 https://doi.org/10.1039/c9cy01782h	journal	January 2020