Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7
Abstract The discovery of ~80 K superconductivity in nickelate La3Ni2O7 under pressure has ignited intense interest. Here, we present a comprehensive first-principles study of the electron-phonon (e-ph) coupling in La3Ni2O7 and its implications on the observed superconductivity. Our results conclude...
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Nature Portfolio
2025-01-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01483-4 |
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| author | Jing-Yang You Zien Zhu Mauro Del Ben Wei Chen Zhenglu Li |
| author_facet | Jing-Yang You Zien Zhu Mauro Del Ben Wei Chen Zhenglu Li |
| author_sort | Jing-Yang You |
| collection | DOAJ |
| description | Abstract The discovery of ~80 K superconductivity in nickelate La3Ni2O7 under pressure has ignited intense interest. Here, we present a comprehensive first-principles study of the electron-phonon (e-ph) coupling in La3Ni2O7 and its implications on the observed superconductivity. Our results conclude that the e-ph coupling is too weak (with a coupling constant λ ≲ 0.5) to account for the high T c , albeit interesting many-electron correlation effects exist. While Coulomb interactions (via G W self-energy and Hubbard U) enhance the e-ph coupling strength, electron doping (oxygen vacancies) introduces no major changes. Additionally, different structural phases display varying characteristics near the Fermi level, but do not alter the conclusion. The e-ph coupling landscape of La3Ni2O7 is intrinsically different from that of infinite-layer nickelates. These findings suggest that a phonon-mediated mechanism is unlikely to be responsible for the observed superconductivity in La3Ni2O7, pointing instead to an unconventional nature. |
| format | Article |
| id | doaj-art-7e2471efb94d496587e2eca1d9762e5f |
| institution | Kabale University |
| issn | 2057-3960 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Computational Materials |
| spelling | doaj-art-7e2471efb94d496587e2eca1d9762e5f2025-01-12T12:32:12ZengNature Portfolionpj Computational Materials2057-39602025-01-011111810.1038/s41524-024-01483-4Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7Jing-Yang You0Zien Zhu1Mauro Del Ben2Wei Chen3Zhenglu Li4Department of Physics, National University of SingaporeMork Family Department of Chemical Engineering and Materials Science, University of Southern CaliforniaApplied Mathematics and Computational Research Division, Lawrence Berkeley National LaboratoryDepartment of Physics, National University of SingaporeMork Family Department of Chemical Engineering and Materials Science, University of Southern CaliforniaAbstract The discovery of ~80 K superconductivity in nickelate La3Ni2O7 under pressure has ignited intense interest. Here, we present a comprehensive first-principles study of the electron-phonon (e-ph) coupling in La3Ni2O7 and its implications on the observed superconductivity. Our results conclude that the e-ph coupling is too weak (with a coupling constant λ ≲ 0.5) to account for the high T c , albeit interesting many-electron correlation effects exist. While Coulomb interactions (via G W self-energy and Hubbard U) enhance the e-ph coupling strength, electron doping (oxygen vacancies) introduces no major changes. Additionally, different structural phases display varying characteristics near the Fermi level, but do not alter the conclusion. The e-ph coupling landscape of La3Ni2O7 is intrinsically different from that of infinite-layer nickelates. These findings suggest that a phonon-mediated mechanism is unlikely to be responsible for the observed superconductivity in La3Ni2O7, pointing instead to an unconventional nature.https://doi.org/10.1038/s41524-024-01483-4 |
| spellingShingle | Jing-Yang You Zien Zhu Mauro Del Ben Wei Chen Zhenglu Li Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 npj Computational Materials |
| title | Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 |
| title_full | Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 |
| title_fullStr | Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 |
| title_full_unstemmed | Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 |
| title_short | Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 |
| title_sort | unlikelihood of a phonon mechanism for the high temperature superconductivity in la3ni2o7 |
| url | https://doi.org/10.1038/s41524-024-01483-4 |
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