Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2
Abstract Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting T c vs. the number of layers n for finite-layer nickelates using the dynamical vertex approximation. To this end, we start with density functional th...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | npj Quantum Materials |
| Online Access: | https://doi.org/10.1038/s41535-025-00786-z |
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| Summary: | Abstract Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting T 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 = 2–7. For all n, the Ni $${d}_{{x}^{2}-{y}^{2}}$$ 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 $${d}_{{x}^{2}-{y}^{2}}$$ d x 2 − y 2 orbitals beyond the leading 1/n contribution stemming from the valence electron count. We finally calculate T c for the single-orbital $${d}_{{x}^{2}-{y}^{2}}$$ d x 2 − y 2 Hubbard model by dynamical vertex approximation. |
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| ISSN: | 2397-4648 |