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

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.

8 pages, 9 figures

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Cited by in corpus (9)

• Interstitial oxygen order and its competition with superconductivity in La${}_2$PrNi${}_2$O${}_{7+\delta }$
• Spin-density wave and superconductivity in La${}_4$Ni${}_3$O${}_{10}$ under ambient pressure
• Phase diagrams and two key factors to superconductivity of Ruddlesden-Popper nickelates
• $\text{Ab initio}$ dynamical mean-field theory with natural orbitals renormalization group impurity solver: Formalism and applications
• Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• Possible Liquid-Nitrogen-Temperature Superconductivity Driven by Perpendicular Electric Field in the Single-Bilayer Film of La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• Correlation Effects in a Simplified Bilayer Two-Orbital Hubbard Model at Half Filling
• Low-energy interband Kondo bound states in orbital-selective Mott phases
• Absence of two-orbital superconductivity in cuprate family: A DFT+DMFT perspective