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Oxygen hole content, charge-transfer gap, covalency, and cuprate superconductivity

Kowalski, Nicolas ; Dash, Sidhartha Shankar ; Sémon, Patrick ; Sénéchal, David ; Tremblay, André-Marie

Proceedings of the National Academy of Sciences - PNAS, 2021-10, Vol.118 (40), p.1 [Periódico revisado por pares]

United States: National Academy of Sciences

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  • Título:
    Oxygen hole content, charge-transfer gap, covalency, and cuprate superconductivity
  • Autor: Kowalski, Nicolas ; Dash, Sidhartha Shankar ; Sémon, Patrick ; Sénéchal, David ; Tremblay, André-Marie
  • Assuntos: Charge transfer ; Copper ; Covalence ; Cuprates ; Doping ; Experiments ; Insulators ; Mean field theory ; Oxygen ; Physical Sciences ; Superconductivity ; Superconductors ; Transition metal oxides ; Transition temperature ; Transition temperatures
  • É parte de: Proceedings of the National Academy of Sciences - PNAS, 2021-10, Vol.118 (40), p.1
  • Notas: ObjectType-Article-1
    SourceType-Scholarly Journals-1
    ObjectType-Feature-2
    content type line 23
    Author contributions: D.S. and A.-M.T. designed research; N.K. and S.S.D. performed research; P.S. and D.S. contributed new reagents/analytic tools; N.K., S.S.D., D.S., and A.-M.T. analyzed data; and N.K., S.S.D., D.S., and A.-M.T. wrote the paper.
    Edited by J. C. Séamus Davis, University of Oxford, Oxford, United Kingdom, and approved August 21, 2021 (received for review April 20, 2021)
  • Descrição: Experiments have shown that the families of cuprate superconductors that have the largest transition temperature at optimal doping also have the largest oxygen hole content at that doping [D. Rybicki et al., 7, 1-6 (2016)]. They have also shown that a large charge-transfer gap [W. Ruan et al., 61, 1826-1832 (2016)], a quantity accessible in the normal state, is detrimental to superconductivity. We solve the three-band Hubbard model with cellular dynamical mean-field theory and show that both of these observations follow from the model. Cuprates play a special role among doped charge-transfer insulators of transition metal oxides because copper has the largest covalent bonding with oxygen. Experiments [L. Wang et al., arXiv [Preprint] (2020). https://arxiv.org/abs/2011.05029 (Accessed 10 November 2020)] also suggest that superexchange is at the origin of superconductivity in cuprates. Our results reveal the consistency of these experiments with the above two experimental findings. Indeed, we show that covalency and a charge-transfer gap lead to an effective short-range superexchange interaction between copper spins that ultimately explains pairing and superconductivity in the three-band Hubbard model of cuprates.
  • Editor: United States: National Academy of Sciences
  • Idioma: Inglês
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