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arXiv:2510.16616

Finite-temperature signatures of underlying superconductivity in the electron-doped Hubbard model

Wen O. Wang, Thomas Devereaux

Published Oct 18, 2025• 0 citations
arXivHTMLPDF

Abstract

We perform numerically exact determinant quantum Monte Carlo simulations of the Hubbard model and analyze pairing tendencies by evaluating correlation functions at the imaginary-time midpoint ($τ=β/2$), which suppresses high-frequency weight and emphasizes low-energy physics. Using this diagnostic, we identify clear finite-temperature signatures of underlying $d$-wave superconductivity for electron doping, while finding no clear indication upon cooling for hole doping. Our analysis enables direct comparison with ground-state DMRG, revealing consistent real-space pairing patterns. These results provide a practical route to bridge the gap between finite-temperature and ground-state numerically exact simulations of the Hubbard model despite the fermion sign problem.

DOI
10.48550/arxiv.2510.16616

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We perform numerically exact determinant quantum Monte Carlo simulations of the Hubbard model and analyze pairing tendencies by evaluating correlation functions at the imaginary-time midpoint (τ=β/2τ=β/2τ=β/2), which suppresses high-frequency weight and emphasizes low-energy physics. Using this diagnostic, we identify clear finite-temperature signatures of underlying ddd-wave superconductivity for electron doping, while finding no clear indication upon cooling for hole doping. Our analysis enables direct comparison with ground-state DMRG, revealing consistent real-space pairing patterns. These results provide a practical route to bridge the gap between finite-temperature and ground-state numerically exact simulations of the Hubbard model despite the fermion sign problem.
The single band, two-dimensional Hubbard Hamiltonian has been extensively studied as a model for high temperature superconductivity. While quantum Monte Carlo simulations within the dynamic cluster approximation are now providing considerable evidence for a ddd-wave superconducting state at low temperature, such a transition remains well out of reach of finite lattice simulations because of the ``sign problem.'' We show here that a bilayer Hubbard model, in which one layer is electron doped and one layer is hole doped, can be studied to lower temperatures and exhibits an interesting signal of ddd-wave pairing. The results of our simulations bear resemblance to a recent report on the magnetic and superconducting properties of Ba2Ca3Cu4O8F2{\mathrm{Ba}}_{2}{\mathrm{Ca}}_{3}{\mathrm{Cu}}_{4}{\mathrm{O}}_{8}{\mathrm{F}}_{2}Ba2​Ca3​Cu4​O8​F2​ which contains both electron and hole doped CuO2\mathrm{Cu}{\mathrm{O}}_{2}CuO2​ planes. We also explore the phase diagram of bilayer models in which each sheet is at half-filling.
The competition between ddd-wave superconductivity (SC) and antiferromagnetism (AF) in the high-Tc{T}_{c}Tc​ cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational quantum-cluster theory. The approach is shown to provide a thermodynamically consistent determination of the particle number, provided that an overall shift of the on-site energies is treated as a variational parameter. The consequences for the single-particle excitation spectra and for the phase diagram are explored. By comparing the single-particle spectra with quantum Monte Carlo and experimental data, we verify that the low-energy excitations in a strongly correlated electronic system are described appropriately. The cluster calculations also reproduce the overall ground-state phase diagram of the high-temperature superconductors. In particular, they include salient features such as the enhanced robustness of the antiferromagnetic state as a function of electron doping and the tendency towards phase separation into a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at high (both hole and electron) doping.
A B1gB_{1g}B1g​ phonon unlocks ddd-wave superconductivity in the repulsive Hubbard model
Using numerically exact finite-temperature quantum Monte Carlo, we demonstrate that a B1gB_{1g}B1g​ phonon coupled to the doped ttt-t′t't′ repulsive Hubbard model produces genuine ddd-wave superconductivity at a substantial transition temperature, in excess of either interaction alone. The observed trends suggest that stronger Hubbard repulsion may cooperate with the phonon to further raise the pairing scale. The enhancement persists at stronger repulsion within the accessible window, limited by the fermion sign problem, and follows a common trend across phonon frequencies ΩΩΩ when organized by a retardation scale 2πT/Ω2πT/Ω2πT/Ω. We also find a well-defined superconducting dome in doping, echoing a characteristic feature of correlated superconductors. Our results identify the B1gB_{1g}B1g​ phonon as a plausible microscopic ingredient for robust ddd-wave superconductivity in the Hubbard model and suggest a concrete, physically motivated route toward materials with higher superconducting transition temperatures.
Understanding the mechanism of Cooper pairing amounts to determining the effective interaction that operates at low energies. Efforts to achieve such a goal for superconducting materials, especially strongly correlated ones, from both bottom-up and top-down approaches, have been plagued by having to use uncontrolled approximations. Here, we perform large-scale, numerically exact, sign-problem-free zero-temperature quantum Monte Carlo simulations on an effective theory based on ``hot spots'' plus fluctuating collective modes. Because hot spots are clearly identified by angle-resolved photoemission spectroscopy for electron-doped cuprates, we focus our attention on such materials. Our goal is to determine the minimum effective action that can describe the observed superconductivity and charge-density wave. The results suggest that antiferromagnetic fluctuation alone is not sufficient---the effective action needs to be amended with nematic fluctuations. We believe that our results address the pairing mechanism of high-Tc{T}_{c}Tc​ superconductivity in electron-doped cuprates, and they shed light on the pairing mechanism of hole-doped cuprates.
The possibility of superconductivity in the ground state of the two-dimensional Hubbard model was investigated by means of the variational Monte Carlo method. With slight hole doping on the 6 ×6 and 10 ×10 lattices, a clear minimum was obtained on the curve of the total energy versus the amplitude of the d -wave gap function for large on-site Coulomb energies. Superconducting pair correlations were observed to be well developed. The-next-nearest-neighbor transfer was found to appreciably affect the minimum depth.
We study the t-J and the Hubbard models at zero temperature using exact-diagonalization techniques on \ensuremath{\surd}10 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}10 and 4\ifmmode\times\else\texttimes\fi{}4 sites clusters. Quantum Monte Carlo simulation results on larger lattices are also presented. All electronic fillings have been analyzed for the three models. We have measured equal-time correlation functions corresponding to various types of order (ranging from ``standard'' staggered spin order to more ``exotic'' possibilities like chiral order), as well as various dynamical properties of these models. Upper bounds for the critical hole doping (xc{\mathit{x}}_{\mathit{c}}xc​), where long-range antiferromagnetic order disappears, are presented. It was found that xc{\mathit{x}}_{\mathit{c}}xc​ is very small in agreement with experiments for the high-Tc{\mathit{T}}_{\mathit{c}}Tc​ superconductors. For example, in the t-J model, ${\mathit{x}}_{\mathit{c}}$0.08 at J/t=0.4. However, short-distance spin correlations are important up to much higher dopings producing a sharp well-defined spin-wave-like peak in S(q=(\ensuremath{\pi},\ensuremath{\pi}),\ensuremath{\omega}). Regarding the possibility of phase separation in the Hubbard model, we have studied the behavior of the density of particles, 〈n〉, as a function of the chemical potential, using the Lanczos method on a 4\ifmmode\times\else\texttimes\fi{}4 Hubbard cluster, finding no indications of phase separation for any value of U/t. Then, we conclude that the t-J model at small J/t should not phase separate.In order to compare theoretical predictions with photoemission experiments, we evaluated the electronic density of states N(\ensuremath{\omega}), of the Hubbard and t-J models at several doping fractions. We found that upon doping the antiferromagnetic gap is filled for U\ensuremath{\sim}8t or smaller. The chemical potential moves across the insulating gap as one goes from electron to hole doping of the half-filled cluster, in agreement with x-ray absorption experiments but at variance with photoemission experiments. We have also calculated the optical conductivity, ${\mathrm{\ensuremath{\sigma}}}_{1}$(\ensuremath{\omega}), of the Hubbard and t-J models at all dopings on 4\ifmmode\times\else\texttimes\fi{}4 clusters. Results are compared with experiments and the weight of the Drude peak is presented as a function of couplings and dopings. Spectral weight found at small frequencies is associated with the mid-infrared band observed experimentally in ${\mathrm{La}}_{2\mathrm{\ensuremath{-}}\mathit{x}}$Srx{\mathrm{Sr}}_{\mathit{x}}Srx​CuO4{\mathrm{CuO}}_{4}CuO4​, and with the states filling the insulating gap in photoemission experiments. An overall good agreement with experiments in the normal state was found. Regarding the possibility of superconductivity n these models, we have studied s-, d-, and p-wave pairing correlations. Naively, the d-wave channel seems enhanced near half filling while the extended s-wave channel seems enhanced from half filling up to 40% doping.However, we found that the enhancement comes from short-distance effects and, thus, no numerical indications of superconductivity were found in these models. We emphasize the importance of analyzing the pairing correlations as a function of distance to distinguish between short- and long-distance effects in the susceptibilities. We also observed that spiral order is enhanced at small J/t and low doping. Uniform chiral rder is suppressed by dynamical holes while staggered chiral order may be enhanced, although with a small plaquette order parameter. We conclude with the observation that the simple one-band Hubbard model with intermediate values of U\ensuremath{\sim}8t may account for many of the ``anomalous'' properties of the normal state of the high-Tc{\mathit{T}}_{\mathit{c}}Tc​ superconductors.