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...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
|
| Series: | npj Quantum Materials |
| Online Access: | https://doi.org/10.1038/s41535-025-00786-z |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849238814735728640 |
|---|---|
| author | Andreas Hausoel Simone Di Cataldo Motoharu Kitatani Oleg Janson Karsten Held |
| author_facet | Andreas Hausoel Simone Di Cataldo Motoharu Kitatani Oleg Janson Karsten Held |
| author_sort | Andreas Hausoel |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-018d4d0769e644a09f5457a7b02f63cc |
| institution | Kabale University |
| issn | 2397-4648 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Quantum Materials |
| spelling | doaj-art-018d4d0769e644a09f5457a7b02f63cc2025-08-20T04:01:24ZengNature Portfolionpj Quantum Materials2397-46482025-07-011011610.1038/s41535-025-00786-zSuperconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2Andreas Hausoel0Simone Di Cataldo1Motoharu Kitatani2Oleg Janson3Karsten Held4Institute for Theoretical Solid State Physics, Leibniz Institute for Solid State and Materials Research DresdenDipartimento di Fisica, Sapienza Università di RomaDepartment of Material Science, University of Hyogo, AkoInstitute for Theoretical Solid State Physics, Leibniz Institute for Solid State and Materials Research DresdenInstitute of Solid State Physics, TU WienAbstract 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.https://doi.org/10.1038/s41535-025-00786-z |
| spellingShingle | Andreas Hausoel Simone Di Cataldo Motoharu Kitatani Oleg Janson Karsten Held Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2 npj Quantum Materials |
| title | Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2 |
| title_full | Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2 |
| title_fullStr | Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2 |
| title_full_unstemmed | Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2 |
| title_short | Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2 |
| title_sort | superconducting phase diagram of finite layer nickelates nd n 1ni n o2n 2 |
| url | https://doi.org/10.1038/s41535-025-00786-z |
| work_keys_str_mv | AT andreashausoel superconductingphasediagramoffinitelayernickelatesndn1nino2n2 AT simonedicataldo superconductingphasediagramoffinitelayernickelatesndn1nino2n2 AT motoharukitatani superconductingphasediagramoffinitelayernickelatesndn1nino2n2 AT olegjanson superconductingphasediagramoffinitelayernickelatesndn1nino2n2 AT karstenheld superconductingphasediagramoffinitelayernickelatesndn1nino2n2 |