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Condensed Matter > Strongly Correlated Electrons

arXiv:2502.12144 (cond-mat)
[Submitted on 17 Feb 2025 (v1), last revised 21 Jul 2025 (this version, v2)]

Title:Superconducting phase diagram of finite-layer nickelates Nd$_{n+1}$Ni$_n$O$_{2n+2}$

Authors:Andreas Hausoel, Simone Di Cataldo, Motoharu Kitatani, Oleg Janson, Karsten Held
View a PDF of the paper titled Superconducting phase diagram of finite-layer nickelates Nd$_{n+1}$Ni$_n$O$_{2n+2}$, by Andreas Hausoel and 4 other authors
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Abstract:Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting $T_{\mathrm{c}}$ vs. the number of layers $n$ for finite-layer nickelates using the dynamical vertex approximation. To this end, we start with density functional theory, and include local correlations non-perturbatively by dynamical mean-field theory for $n=2$ to 7. For all $n$, the Ni $d_{x^2-y^2}$ orbital crosses the Fermi level, but for $n>4$ there are additional $(\pi, \pi)$ pockets or tubes that slightly enhance the layer-averaged hole doping of the $d_{x^2-y^2}$ orbitals beyond the leading $1/n$ contribution stemming from the valence electron count. We finally calculate $T_{\mathrm{c}}$ for the single-orbital $d_{x^2-y^2}$ Hubbard model by dynamical vertex approximation.
Comments: 6 pages + supplemental material
Subjects: Strongly Correlated Electrons (cond-mat.str-el); Materials Science (cond-mat.mtrl-sci); Superconductivity (cond-mat.supr-con)
Cite as: arXiv:2502.12144 [cond-mat.str-el]
  (or arXiv:2502.12144v2 [cond-mat.str-el] for this version)
  https://doi.org/10.48550/arXiv.2502.12144
arXiv-issued DOI via DataCite
Journal reference: npj Quantum Mater. 10, 69 (2025)
Related DOI: https://doi.org/10.1038/s41535-025-00786-z
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Submission history

From: Andreas Hausoel [view email]
[v1] Mon, 17 Feb 2025 18:56:16 UTC (28,087 KB)
[v2] Mon, 21 Jul 2025 16:40:27 UTC (25,866 KB)
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