Superconducting phase diagram of finite-layer nickelates Nd$_{n+1}$Ni$_n$O$_{2n+2}$
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866912495604596736 |
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| author | Hausoel, Andreas Di Cataldo, Simone Kitatani, Motoharu Janson, Oleg Held, Karsten |
| author_facet | Hausoel, Andreas Di Cataldo, Simone Kitatani, Motoharu Janson, Oleg Held, Karsten |
| contents | 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 $(π, π)$ 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2502_12144 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Superconducting phase diagram of finite-layer nickelates Nd$_{n+1}$Ni$_n$O$_{2n+2}$ Hausoel, Andreas Di Cataldo, Simone Kitatani, Motoharu Janson, Oleg Held, Karsten Strongly Correlated Electrons Materials Science Superconductivity 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 $(π, π)$ 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. |
| title | Superconducting phase diagram of finite-layer nickelates Nd$_{n+1}$Ni$_n$O$_{2n+2}$ |
| topic | Strongly Correlated Electrons Materials Science Superconductivity |
| url | https://arxiv.org/abs/2502.12144 |