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Non-Fermi liquid and antiferromagnetic correlations with hole doping in the bilayer two-orbital Hubbard model of La$_3$Ni$_2$O$_7$ at zero temperature

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arxiv 2407.13737 v1 pith:UY52U7MN submitted 2024-07-18 cond-mat.str-el cond-mat.mtrl-scicond-mat.supr-conphysics.comp-ph

classification cond-mat.str-elcond-mat.mtrl-scicond-mat.supr-conphysics.comp-ph
keywords correlationspressuresbandbilayerdopingholeinter-layerla327
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abstract

High-$T_c$ superconductivity (SC) was recently found in the bilayer material La$_3$Ni$_2$O$_7$ (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 (CDMFT) with natural orbitals renormalization group (NORG) as impurity solver at zero temperature, considering only normal states. With hole doping, we have observed sequentially the Mott insulator (Mott), pseudogap (PG), non-Fermi liquid (NFL), and Fermi liquid (FL) phases, with quantum correlations decreasing. The ground state of the La327 is in the NFL phase with Hund spin correlation, which transmits the Ni-$3d_{z^2}$ ($z$) orbital inter-layer AFM correlation to the Ni-$3d_{x^2-y^2}$ orbitals. When the $\sigma$-bonding state of the $z$ orbitals ($z+$) is no longer fully filled, the inter-layer antiferromagnetic (AFM) correlations weaken rapidly. At low pressures, the fully filled $z+$ band supports a strong inter-layer AFM correlations, potentially favoring short-range spin density wave (SDW) and suppressing SC. 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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Cited by 2 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Local electronic properties of La3Ni2O7 under pressure

    cond-mat.supr-con 2024-12 conditional novelty 7.0 of 10

    Ni ions in La3Ni2O7 remain low-spin (S=1/2) with valence near 2.5+ from ambient conditions up to about 25 GPa and down to 10 K, contradicting several proposed spin-transition explanations.

  2. Spin-density wave and superconductivity in La$_4$Ni$_3$O$_{10}$ under ambient pressure

    cond-mat.supr-con 2024-11 conditional novelty 6.0 of 10

    In La4Ni3O10 at ambient pressure, a stripe spin-density wave with wave vector near (0.7π,0) is driven by Hund's coupling, and hole doping around δ=-0.4 is predicted to induce superconductivity.

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