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arXiv:2306.12910 · Physical review. B./Physical review. B

Superconducting stripes in the hole-doped three-band Hubbard model

Boris Ponsioen, Sangwoo S. Chung, Philippe Corboz

Published Nov 27, 2023• 28 citations
arXivHTMLPDF

Abstract

We study the ground state properties of the hole-doped three-band Hubbard (Emery) model, describing the copper-oxygen planes of the cuprates, using large-scale two-dimensional tensor network calculations. Our simulations reveal a period 4 stripe state with spin and weak charge order over an extended doping range beyond $\ensuremath{\delta}\ensuremath{\sim}0.12$ and stripes with larger periods at smaller doping. The period 4 stripe exhibits coexisting $d$-wave superconductivity in the doping range $0.15\ensuremath{\lesssim}\ensuremath{\delta}<0.25$, while at smaller doping around $\ensuremath{\delta}\ensuremath{\sim}1/8$ we find a strong competition between superconducting and nonsuperconducting stripes, including also pair density-wave states with an alternating sign structure on neighboring stripes, suggesting that the fate of superconductivity around 1/8 doping may be sensitive on the model parameters.

DOI
10.1103/physrevb.108.205154

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We study the ground state properties of the hole-doped three-band Hubbard (Emery) model, describing the copper-oxygen planes of the cuprates, using large-scale two-dimensional tensor network calculations. Our simulations reveal a period 4 stripe state with spin and weak charge order over an extended doping range beyond \ensuremathδ\ensuremath∼0.12\ensuremath{\delta}\ensuremath{\sim}0.12\ensuremathδ\ensuremath∼0.12 and stripes with larger periods at smaller doping. The period 4 stripe exhibits coexisting ddd-wave superconductivity in the doping range 0.15\ensuremath≲\ensuremathδ<0.250.15\ensuremath{\lesssim}\ensuremath{\delta}<0.250.15\ensuremath≲\ensuremathδ<0.25, while at smaller doping around \ensuremathδ\ensuremath∼1/8\ensuremath{\delta}\ensuremath{\sim}1/8\ensuremathδ\ensuremath∼1/8 we find a strong competition between superconducting and nonsuperconducting stripes, including also pair density-wave states with an alternating sign structure on neighboring stripes, suggesting that the fate of superconductivity around 1/8 doping may be sensitive on the model parameters.
We study the competition between stripe states with different periods and a uniform ddd-wave superconducting state in the extended two-dimensional Hubbard model at 1/8 hole doping using infinite projected entangled-pair states (iPEPS). With increasing strength of negative next-nearest neighbor hopping ${t}^{\ensuremath{'}}$, the preferred period of the stripe decreases. For the values of ${t}^{\ensuremath{'}}$ predicted for cuprate high-Tc{T}_{c}Tc​ superconductors, we find stripes with a period 4 in the charge order, in agreement with experiments. Superconductivity in the period 4 stripe is suppressed at 1/81/81/8 doping. Only at larger doping, $0.18\ensuremath{\lesssim}\ensuremath{\delta}<0.25$, the period 4 stripe exhibits coexisting ddd-wave superconducting order. The uniform ddd-wave state is only favored for sufficiently large positive ${t}^{\ensuremath{'}}$.
The two-dimensional Hubbard model was originally proposed as the minimal model of uniform ddd-wave superconductivity in the cuprate high-temperature superconductors, but recent calculations with relevant parameters in a realistic doping regime have often found other ground states. Further, uncertainty remains over such results due to the intrinsic bias of different computational methods. Here we address this uncertainty through state-of-the-art neural tensor network and neural backflow state simulations, enabled by large-scale GPU computation, that together reach an unprecedented variational accuracy on lattices with up to 1024 sites. At 1/81/81/8 doping in the pure Hubbard model, as well as with next-nearest-neighbor hopping relevant to the hole-doped cuprates, we reveal a near degeneracy among a low-energy uniform ddd-wave state, superconducting stripes, and non-superconducting stripe states on the milli-ttt energy scale. Our work rebalances the narrative that the Hubbard model supports a single dominant order in relevant parameter regimes towards a picture of extreme competition between stripes and superconductivity.
The long-studied Hubbard model is one of the simplest models of copper-oxide superconductors. However, the connection between the model and the experimental phase diagram is still under debate, in particular regarding the existence and extent of the ddd-wave superconducting phase. Recent rapid progress in improving the accuracy of numerical solvers has opened a way to answer this question reliably. Here, we study the hole-doping concentration ($\ensuremath{\delta}$) dependence of the Hubbard model in the ground states on a square lattice at strong coupling U/t=10U/t=10U/t=10, for the on-site interaction UUU and the transfer ttt, using a variational Monte Carlo method. The method, which combines tensor network and Lanczos methods on top of Pfaffian wave functions, reveals a rich phase diagram, in which many orders compete severely and degenerate within the energy range of 0.01t0.01t0.01t. We have identified distinct phases including a uniform ddd-wave superconducting phase for $0.17\ensuremath{\lesssim}\ensuremath{\delta}\ensuremath{\lesssim}0.22$ and a stripe charge/spin ordered phase for $\ensuremath{\delta}\ensuremath{\lesssim}0.17$ with the stripe period depending on $\ensuremath{\delta}$, together with presumable spatially coexisting antiferromagnetic and stripe order for $\ensuremath{\delta}\ensuremath{\lesssim}0.07$ and coexisting stripe and ddd-wave superconductivity for $0.07\ensuremath{\lesssim}\ensuremath{\delta}\ensuremath{\lesssim}0.17$. The present, improved method revealed a wider region of a charge uniform superconducting phase than the previous studies and shows a qualitative similarity to the phase diagram of the cuprate superconductors. The superconducting order parameter is largest at doping of around $\ensuremath{\delta}=0.17$ in the ground state, which undergoes phase transitions from an inhomogeneous to a uniform state.
') neighbor hoppings. Our work investigates the consequences of increasing hole doping on the instauration of stripes and the behavior of the superconducting order parameter, with a discussion on how the two phenomena affect each other. We consider two different values of the next-nearest neighbor hopping parameter, that are appropriate for describing cuprate superconductors. We observe that stripes are the optimal state in a wide doping range; the stripe wavelength reduces at increasing doping, until stripes melt into a uniform state for large values of doping. Superconducting pair-pair correlations, indicating the presence of superconductivity, are always suppressed in the presence of stripes. Our results suggest that the phase diagram for the single-band Hubbard model is dominated by stripes, with superconductivity being possible only in a narrow doping range between striped states and a nonsuperconducting metal.
A pair density wave (PDW) is a superconducting (SC) state with a spatially modulated order parameter. Although much is known about the properties of the PDW state, its realization in microscopic models with divergent susceptibility has been challenging. Here we report a density-matrix renormalization group study of a three-band Hubbard model (also known as the Emery model) for cuprates on long two-leg square cylinders. Upon light doping, we find that the ground state of the system is consistent with that of a PDW state with mutually commensurate and power-law SC, charge (CDW), and spin (SDW) density wave correlations. The SC correlations are dominant between neighboring Cu sites with ddd-wave pairing symmetry. Interestingly, we find that the near-neighbor interactions, especially the near-neighbor attractive Vpd{V}_{pd}Vpd​ interaction between neighboring Cu and oxygen sites, can notably enhance the SC correlations while simultaneously suppressing the CDW correlations. For a modestly strong attractive Vpd{V}_{pd}Vpd​, the SC correlations become quasi-long-ranged with a divergent PDW susceptibility.
We perform extensive auxiliary-field quantum Monte Carlo (AFQMC) calculations for the three-band Hubbard (Emery) model in order to study the ground-state properties of copper-oxygen planes in the cuprates. Employing cutting-edge AFQMC techniques with a self-consistent gauge constraint in auxiliary-field space to control the sign problem, we reach supercells containing $\ensuremath{\approx}500$ atoms to capture collective modes in the charge and spin orders and characterize the behavior in the thermodynamic limit. The self-consistency scheme interfacing with generalized Hartree-Fock calculations allows high accuracy in AFQMC to resolve small energy scales, which is crucial for determining the complex candidate orders in such a system. We present detailed information on the charge order, spin order, momentum distribution, and localization properties as a function of charge-transfer energy for the the underdoped regime. In contrast with the stripe and spiral orders under hole doping, we find that the corresponding 1/81/81/8 electron-doped system exhibits purely antiferromagnetic order in the three-band model, consistent with the asymmetry between electron and hole doping in the phase diagram of cuprates.