<p>Trilayer Ruddlesden-Popper phase La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub> has been observed with <i>T</i><sub><i>c</i></sub> of ∼30 K at high pressure in a recent experiment, which further expanded the family of nickelate superconductors. In this study, we explored the effects of electronic correlations in La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub> using density functional theory plus dynamical mean-field theory at ambient and high pressures. Our derived spectral functions and Fermi surface of the ambient pressure phase are nicely consistent with the experimental results by angle-resolved photoemission spectroscopy, which emphasized the importance of electronic correlations in La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub>. We also found the electronic correlations in pressurized La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub> are both orbital-dependent and layer-dependent due to the presence of Hund’s rule coupling. There is a competition between the Hund’s rule coupling and the crystal-field splitting, and therefore, the Ni–O layers with weaker crystal-field splitting energy would have stronger electronic correlations.</p>

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Electronic correlations and Hund’s rule coupling in trilayer nickelate La4Ni3O10

  • Zihao Huo,
  • Peng Zhang,
  • Zihan Zhang,
  • Defang Duan,
  • Tian Cui

摘要

Trilayer Ruddlesden-Popper phase La4Ni3O10 has been observed with Tc of ∼30 K at high pressure in a recent experiment, which further expanded the family of nickelate superconductors. In this study, we explored the effects of electronic correlations in La4Ni3O10 using density functional theory plus dynamical mean-field theory at ambient and high pressures. Our derived spectral functions and Fermi surface of the ambient pressure phase are nicely consistent with the experimental results by angle-resolved photoemission spectroscopy, which emphasized the importance of electronic correlations in La4Ni3O10. We also found the electronic correlations in pressurized La4Ni3O10 are both orbital-dependent and layer-dependent due to the presence of Hund’s rule coupling. There is a competition between the Hund’s rule coupling and the crystal-field splitting, and therefore, the Ni–O layers with weaker crystal-field splitting energy would have stronger electronic correlations.