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arXiv:2310.17706

Recovery of a Luther-Emery phase in the three-band Hubbard model with longer-range hopping

Luhang Yang, Thomas Devereaux, Hong‐Chen Jiang

Published Oct 26, 2023• 0 citations
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Abstract

A lightly doped single-band Hubbard model on a two leg ladder exhibits a Luther-Emery phase, while the three-band Hubbard ladder behaves as a Luttinger liquid upon hole doping. In order to understand this discrepancy, we present a systematic density-matrix renormalization group study of the three-band Hubbard model on two-leg cylinders with further-neighbor particle hoppings. The inclusion of the longer-range hopping is motivated by the studies of the single-band Hubbard model in which the further-neighbor hopping terms are suggested to be crucial for the unconventional superconductivity. When the longer-range hopping parameters are small, the ground state is a Luttinger liquid having mutually commensurate superconducting, charge and spin density wave correlations. Increasing the longer-range hopping drives a transition into a Luther-Emery phase with quasi-long ranged superconducting and charge orders but short-ranged spin-spin correlations. By down-folding the three-band Hubbard model into an effective $t$-$t'$-$J$-$J'$ model, we find that in the Luther-Emery phase, both the nearest and second neighbor kinetic energies are enhanced due to an effective increase of copper-oxygen hybridization. Amplifying inter-cell oxygen orbital hopping mirrors the benefits of reducing the charge transfer energy, causing doped holes to favor oxygen orbitals and strengthening superconducting pairing.

DOI
10.48550/arxiv.2310.17706

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•Oct 14, 2021•3 citations
A lightly doped single-band Hubbard model on a two leg ladder exhibits a Luther-Emery phase, while the three-band Hubbard ladder behaves as a Luttinger liquid upon hole doping. In order to understand this discrepancy, we present a systematic density-matrix renormalization group study of the three-band Hubbard model on two-leg cylinders with further-neighbor particle hoppings. The inclusion of the longer-range hopping is motivated by the studies of the single-band Hubbard model in which the further-neighbor hopping terms are suggested to be crucial for the unconventional superconductivity. When the longer-range hopping parameters are small, the ground state is a Luttinger liquid having mutually commensurate superconducting, charge and spin density wave correlations. Increasing the longer-range hopping drives a transition into a Luther-Emery phase with quasi-long ranged superconducting and charge orders but short-ranged spin-spin correlations. By down-folding the three-band Hubbard model into an effective ttt-t′t't′-JJJ-J′J'J′ model, we find that in the Luther-Emery phase, both the nearest and second neighbor kinetic energies are enhanced due to an effective increase of copper-oxygen hybridization. Amplifying inter-cell oxygen orbital hopping mirrors the benefits of reducing the charge transfer energy, causing doped holes to favor oxygen orbitals and strengthening superconducting pairing.
A lightly doped single-band Hubbard model on a two-leg ladder exhibits a Luther-Emery phase, whereas the three-band Hubbard ladder behaves as a Luttinger liquid upon hole doping. To understand this discrepancy, we present a systematic density-matrix renormalization group study of the three-band Hubbard model on two-leg cylinders with further-neighbor particle hoppings. The inclusion of the longer-range hopping is motivated by the studies of the single-band Hubbard model in which the further-neighbor hopping terms are suggested to be crucial for the unconventional superconductivity. When the longer-range hopping parameters are small, the ground state is a Luttinger liquid having mutually commensurate superconducting, charge, and spin density wave correlations. Increasing the longer-range hopping drives a transition into a Luther-Emery phase with quasi-long-ranged superconducting and charge orders but short-ranged spin-spin correlations. By down-folding the three-band Hubbard model into an effective $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}\text{\ensuremath{-}}J\text{\ensuremath{-}}{J}^{\ensuremath{'}}$ model, we find that in the Luther-Emery phase, both the nearest- and second-neighbor kinetic energies are enhanced due to an effective increase of copper-oxygen hybridization. Amplifying intercell oxygen orbital hopping mirrors the benefits of reducing the charge transfer energy, causing doped holes to favor oxygen orbitals and strengthening superconducting pairing.
Correlated-electron theories of superconductivity in layered cuprates often start from the premise of a gapped spin-liquid phase proximate to the superconducting state. This assumption is justified based on analytical and numerical demonstrations of a superconducting Luther-Emery phase in the doped 2-leg one-band Hubbard ladder, and the perceived analogy between coupled ladders and the two-dimensional CuO2{\mathrm{CuO}}_{2}CuO2​ layer. We demonstrate from accurate density matrix renormalization group studies the absence of the superconducting Luther-Emery phase in the doped 2-leg three-band ladder consisting of both copper and oxygen, even as the spin gap is large in the undoped three-band ladder. For realistic oxygen-oxygen hopping and Hubbard repulsion on the oxygen atoms, density-density rather than pairing correlations are dominant at long range. This result is equally valid whether or not the oxygens outside the ladder proper, over and above the rung and leg oxygens, are included in the computation. These results demonstrate the critical importance of oxygen orbitals, and raise disturbing questions about the applicability of many of the existing correlated-electron theories of superconductivity.
Correlated-electron theories of superconductivity in cuprates often start from the premise of a gapped spin-liquid phase proximate to the superconducting state. This assumption is based on, (i) demonstrations of a Luther-Emery phase with dominant superconducting correlations in the doped 2-leg one-band Hubbard ladder, and (ii) the perceived analogy between coupled ladders and the square lattice. We demonstrate from accurate density matrix renormalization group calculations the absence of the Luther-Emery phase in the doped 2-leg three-band ladder consisting of both copper and oxygen. For realistic oxygen-oxygen hopping and Hubbard repulsion on the oxygen atoms, the decay of the superconducting pair correlation with distance is almost indistinguishable from that of free fermions. Our results caste severe doubts on many of the existing correlated-electron theories of superconductivity.
Inspired by the observation of a robust ddd-wave superconducting phase driven by tuning the next-nearest-neighbor (NNN) electron hopping in recent density matrix renormalization group (DMRG) studies of six- and eight-leg $t\text{\ensuremath{-}}J$ model, we systematically study the phase diagram of the two-leg $t\text{\ensuremath{-}}J$ ladder with the NNN couplings (including NNN hopping and spin interaction) in a large region of doping level, by means of the DMRG calculations. Upon doping from half filling, we identify the Luther-Emery liquid (LEL) phase, which can be distinguished as the pairing-dominant and charge density-dominant regime by comparing the Luttinger parameter ${K}_{\ensuremath{\rho}}$. With the growing NNN couplings, pairing correlations are enhanced and correspondingly ${K}_{\ensuremath{\rho}}$ increases, driving the system from the density-dominant to the pairing-dominant regime. In the Tomonaga-Luttinger liquid (TLL) phase in the larger doping region, we identify two TLL regimes with different features of charge density correlation. At the quarter filling (1/21/21/2 doping level), we find that the strong dimer orders of bond energy in the open system actually decay algebraically and thus do not indicate a spontaneous translational symmetry breaking. Our results show that in the LEL phase of the two-leg ladder, the NNN couplings seem to play the similar role as that on the wider $t\text{\ensuremath{-}}J$ cylinder, and studies on this more accessible system can be helpful toward understanding the emergence of the remarkable ddd-wave superconducting phase on the wider system.
We revisit the ground state of the Hubbard model on two-legged ladders in this paper. We perform density matrix renormalization group (DMRG) calculations on large system sizes with large numbers of kept states and perform extrapolation of DMRG results with truncation errors in the converged region. We find that the superconducting correlation exponent Ksc{K}_{sc}Ksc​ extracted from the pair-pair correlation is very sensitive to the position of the reference bond, reflecting a huge boundary effect on it. By systematically removing the effects from boundary conditions, finite sizes, and truncation errors in DMRG, we obtain more accurate values of Ksc{K}_{sc}Ksc​ and ${K}_{\ensuremath{\rho}}$ with DMRG. With these exponents, we confirm that the two-legged Hubbard model is in the Luther-Emery liquid phase with ${K}_{sc}\ifmmode\cdot\else\textperiodcentered\fi{}{K}_{\ensuremath{\rho}}=1$ from tiny doping near half filling to 1/81/81/8 hole doping. When the doping is increased to $\ensuremath{\delta}⪆1/6$, the behaviors of charge, pairing, and spin correlations do not change qualitatively, but the relationship ${K}_{sc}\ifmmode\cdot\else\textperiodcentered\fi{}{K}_{\ensuremath{\rho}}=1$ is likely to be violated. With the further increase of the doping to $\ensuremath{\delta}=1/3$, the quasi-long-ranged charge correlation turns into a true long-ranged charge order, and the spin gap is closed, while the pair-pair correlation still decays algebraically. Our work provides a standard way to analyze the correlation functions when studying systems with open boundary conditions.
While the recent discovery of superconductivity in infinite-layer nickelates has drawn considerable attention, a common ingredient of the fundamental building blocks to describe their ground states has been lacking. A series of experimental and theoretical studies have suggested that an effective two-band Hubbard model with Ni 3dx2−y2d_{x^2-y^2}dx2−y2​ and rare-earth (RRR) 5ddd character may describe the low-energy physics. Here, we study the ground state properties of this two-band model on four-leg cylinders using the density-matrix renormalization group (DMRG). At half-filling, the ground state of the system is consistent with a Luttinger liquid, possessing quasi-long-range charge and spin correlations in the RRR layer, but short-range correlations in the Ni layer. At a hole doping concentration of δ=12.5%\delta=12.5\%δ=12.5%, the RRR layer is nearly empty and the ground state of the system is consistent with a Luther-Emery liquid, where we find power-law superconducting and charge density correlations in the Ni layer, but exponentially decaying spin correlations. The consistency of our results with experimental observations may help to reveal the microscopic mechanism for pairing in these nickelates and other unconventional superconductors.