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Absence of Luther-Emery Phase in the Three-Band Model for Cuprate Ladders

Jeong-Pil Song, S. Mazumdar, Rudolf Torsten Clay

Published Oct 20, 2020• 0 citations
OpenAlex

Abstract

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.

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Absence of Luther-Emery superconducting phase in the three-band model for cuprate ladders

Jeong-Pil Song, S. Mazumdar, Rudolf Torsten Clay

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 ${\mathrm{CuO}}_{2}$ 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.

arXiv:2010.10609•Physical review. B./Physical review. B•Sep 13, 2021•9 citations

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

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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.

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

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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.

arXiv:2310.17706•Oct 26, 2023•0 citations

Pairing and charge distribution in Emery ladders preserving the ratio of Cu to O atoms

Anonymous, Eric Jeckelmann

We study the Emery model (three-band Hubbard model) for superconducting cuprates on three distinct ladderlike lattices that are supercells of the CuO 2 plane and thus preserve the ratio of copper to oxygen atoms. Using the density-matrix renormalization group method we confirm that these Emery ladders are charge-transfer insulators for the hole concentration corresponding to undoped cuprates but become Luther-Emery liquids with enhanced pairing correlations upon doping. The preservation of the Cu to O ratio allows us to study the distribution of charges between these atoms in the Luther-Emery phase. We show that these Emery ladders can describe the relations between charge distribution, pairing strength, and interactions that have been observed in the Emery model on two-dimensional clusters and in experiments.

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Influence of oxygen orbitals and boundary conditions on the pairing behavior in the Emery model for doped ladders

Gökmen Polat, Eric Jeckelmann

We investigate the Emery model on several ladder-like lattices including two legs of copper d orbitals and various numbers of oxygen p orbitals. Pair binding energy, pair spatial structure, density distribution, and pairing correlation functions are calculated using the density-matrix renormalization group (DMRG). We show that a Luther-Emery phase with enhanced pairing correlations can be found for hole doping as well as for electron doping with realistic model parameters. Ladder properties depend sensitively on model parameters, the oxygen p orbitals taken into account, and boundary conditions. The pair binding energy is a more reliable quantity than correlation functions for ascertaining the occurrence of pairing in ladders. Overall, our results for two-leg Emery ladders support the possibility of superconductivity in the hole-doped 2D model. The issue is rather to determine which of the various ladder structures and model parameters are appropriate to approximate the two-dimensional cuprates.

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Reexamining doped two-legged Hubbard ladders

Yang Shen, Guang-Ming Zhang, Mingpu Qin

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 ${K}_{sc}$ 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 ${K}_{sc}$ 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 $1/8$ 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.

arXiv:2303.16487•Physical review. B./Physical review. B•Oct 11, 2023•15 citations
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.
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.
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.
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.
We study the Emery model (three-band Hubbard model) for superconducting cuprates on three distinct ladderlike lattices that are supercells of the CuO 2 plane and thus preserve the ratio of copper to oxygen atoms. Using the density-matrix renormalization group method we confirm that these Emery ladders are charge-transfer insulators for the hole concentration corresponding to undoped cuprates but become Luther-Emery liquids with enhanced pairing correlations upon doping. The preservation of the Cu to O ratio allows us to study the distribution of charges between these atoms in the Luther-Emery phase. We show that these Emery ladders can describe the relations between charge distribution, pairing strength, and interactions that have been observed in the Emery model on two-dimensional clusters and in experiments.
We investigate the Emery model on several ladder-like lattices including two legs of copper d orbitals and various numbers of oxygen p orbitals. Pair binding energy, pair spatial structure, density distribution, and pairing correlation functions are calculated using the density-matrix renormalization group (DMRG). We show that a Luther-Emery phase with enhanced pairing correlations can be found for hole doping as well as for electron doping with realistic model parameters. Ladder properties depend sensitively on model parameters, the oxygen p orbitals taken into account, and boundary conditions. The pair binding energy is a more reliable quantity than correlation functions for ascertaining the occurrence of pairing in ladders. Overall, our results for two-leg Emery ladders support the possibility of superconductivity in the hole-doped 2D model. The issue is rather to determine which of the various ladder structures and model parameters are appropriate to approximate the two-dimensional cuprates.
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.