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<p>The discovery of ~80 K superconductivity in nickelate La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> under pressure has ignited intense interest. Here, we present a comprehensive first-principles study of the electron-phonon (<i>e</i>-ph) coupling in La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> and its implications on the observed superconductivity. Our results conclude that the <i>e</i>-ph coupling is too weak (with a coupling constant <i>λ</i> ≲ 0.5) to account for the high <i>T</i><sub><i>c</i></sub>, albeit interesting many-electron correlation effects exist. While Coulomb interactions (via <i>G</i><i>W</i> self-energy and Hubbard <i>U</i>) enhance the <i>e</i>-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 <i>e</i>-ph coupling landscape of La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> 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 La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub>, pointing instead to an unconventional nature.</p>

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Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7

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  • 发表日期：

    2025年1月6日

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  • Jing-Yang You,
  • Zien Zhu,
  • Mauro Del Ben,
  • Wei Chen,
  • Zhenglu Li

摘要

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 Tc, albeit interesting many-electron correlation effects exist. While Coulomb interactions (via GW 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.