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arXiv:2604.13161 · Physical review. B./Physical review. B

Superconductivity near two-dimensional Van Hove singularities: A determinant quantum Monte Carlo study

Gustav Romare, Daniel J. Shaffer, Alex Levchenko, Edwin Huang, Ilya Esterlis

Published Oct 1, 2026• 0 citations
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Abstract

The superconducting transition temperature $T_c$ of the two-dimensional attractive Hubbard model is computed in the vicinity of both ordinary (logarithmic) and higher-order (power-law) Van Hove singularities using determinant quantum Monte Carlo simulations. For interaction strengths $|U| \lesssim W/3$, where $W$ is the electronic bandwidth, $T_c$ is enhanced in the neighborhood of the Van Hove point, albeit more weakly than expected from weak-coupling BCS theory. Enhancing the Van Hove singularity from logarithmic to power-law yields only a minor additional enhancement of $T_c$. For $|U| \gtrsim W/3$, the maximum $T_c$ shifts away from the Van Hove point and instead occurs at a density unrelated to any features in the non-interacting density of states, consistent with a strong-coupling interpretation. We find that the maximal $T_c$ in the model is achieved at intermediate $U$ and at a density away from the Van Hove point.

DOI
10.1103/s8kf-crkv

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The superconducting transition temperature TcT_cTc​ of the two-dimensional attractive Hubbard model is computed in the vicinity of both ordinary (logarithmic) and higher-order (power-law) Van Hove singularities using determinant quantum Monte Carlo simulations. For interaction strengths ∣U∣≲W/3|U| \lesssim W/3∣U∣≲W/3, where WWW is the electronic bandwidth, TcT_cTc​ is enhanced in the neighborhood of the Van Hove point, albeit more weakly than expected from weak-coupling BCS theory. Enhancing the Van Hove singularity from logarithmic to power-law yields only a minor additional enhancement of TcT_cTc​. For ∣U∣≳W/3|U| \gtrsim W/3∣U∣≳W/3, the maximum TcT_cTc​ shifts away from the Van Hove point and instead occurs at a density unrelated to any features in the non-interacting density of states, consistent with a strong-coupling interpretation. We find that the maximal TcT_cTc​ in the model is achieved at intermediate UUU and at a density away from the Van Hove point.
Using large-scale dynamical cluster quantum Monte Carlo simulations, we study the Lifshitz transition of the two-dimensional Hubbard model with next-nearest-neighbor hopping (${t}^{\ensuremath{'}}$), chemical potential, and temperature as control parameters. At ${t}^{\ensuremath{'}}\ensuremath{\le}0$, we identify a line of Lifshitz transition points associated with a change in the Fermi surface topology at zero temperature. In the overdoped region, the Fermi surface is complete and electron-like; across the Lifshitz transition, the Fermi surface becomes hole-like and develops a pseudogap. At (or very close to) the Lifshitz transition points, a van Hove singularity in the density of states crosses the Fermi level. The van Hove singularity occurs at finite doping due to correlation effects and becomes more singular when ${t}^{\ensuremath{'}}$ becomes more negative. The resulting temperature dependence on the bare ddd-wave pairing susceptibility close to the Lifshitz points is significantly different from that found in the traditional van Hove scenarios. Such unambiguous numerical observation of the Lifshitz transition at ${t}^{\ensuremath{'}}\ensuremath{\le}0$ extends our understanding of the quantum critical region in the phase diagram and shines lights on future investigations of the nature of the quantum critical point in the two-dimensional Hubbard model.
A quantum critical point is found in the phase diagram of the two-dimensional Hubbard model [Vidhyadhiraja et al., Phys. Rev. Lett. 102, 206407 (2009)]. It is due to the vanishing of the critical temperature associated with a phase-separation transition, and it separates the non-Fermi-liquid region from the Fermi liquid. Near the quantum critical point, the pairing is enhanced since the real part of the bare ddd-wave pairing susceptibility exhibits an algebraic divergence with decreasing temperature, replacing the logarithmic divergence found in a Fermi liquid [Yang et al., Phys. Rev. Lett. 106, 047004 (2011)]. In this paper, we explore the single-particle and transport properties near the quantum critical point using high-quality estimates of the self-energy obtained by direct analytic continuation of the self-energy from the continuous-time quantum Monte Carlo method. We focus mainly on a van Hove singularity coming from the relatively flat dispersion that crosses the Fermi level near the quantum critical filling. The flat part of the dispersion orthogonal to the antinodal direction remains pinned near the Fermi level for a range of doping that increases when we include a negative next-near-neighbor hopping ${t}^{\ensuremath{'}}$ in the model. For comparison, we calculate the bare ddd-wave pairing susceptibility for noninteracting models with the usual two-dimensional tight-binding dispersion and a hypothetical quartic dispersion. We find that neither model yields a van Hove singularity that completely describes the critical algebraic behavior of the bare ddd-wave pairing susceptibility found in the numerical data. The resistivity, thermal conductivity, thermopower, and the Wiedemann-Franz law are examined in the Fermi liquid, marginal Fermi liquid, and pseudogap doping regions. A negative next-near-neighbor hopping ${t}^{\ensuremath{'}}$ increases the doping region with marginal Fermi liquid character. Both TTT and negative ${t}^{\ensuremath{'}}$ are relevant variables for the quantum critical point, and both the transport and the displacement of the van Hove singularity with filling suggest that they are qualitatively similar in their effect.
We implement a quantum Monte Carlo calculation for a repulsive Hubbard model with nearest- and next-nearest-neighbor hopping interactions on clusters up to 12\ifmmode\times\else\texttimes\fi{}12. A parameter region where the Fermi level lies close to the van Hove singularity at the saddle points in the bulk band structure is investigated. A pairing tendency in the ${\mathit{d}}_{{\mathit{x}}^{2}\mathrm{\ensuremath{-}}{\mathit{y}}^{2}}$ symmetry channel, but no other channel, is found. Estimates of the effective pairing interaction show that it is close to the value required for a 40 K superconductor. Finite-size scaling compares with the attractive Hubbard model. \textcopyright{}1996 The American Physical Society.
In nonperturbative regimes, the superfluid instability in the two-dimensional (2D) Hubbard model can be described by an emergent BCS theory with small effective pairing constants. We compute the effective couplings using a controlled bold-line diagrammatic Monte Carlo approach, which stochastically sums all skeleton Feynman diagrams dressed in the one- and two-particle channels to high expansion orders, and map out the resulting superfluid ground-state phase diagram in a range of next-nearest-neighbor hopping $0\ensuremath{\le}{t}^{\ensuremath{'}}\ensuremath{\le}0.3t$, interaction strength $0\ensuremath{\le}U\ensuremath{\le}3t$, and lattice filling $0\ensuremath{\le}n\ensuremath{\le}2$. The phase diagram is dramatically transformed in the hole-doped region and becomes particularly rich at larger doping and ${t}^{\ensuremath{'}}$. At ${t}^{\ensuremath{'}}=0.3$, the weak-coupling picture with the dominant triplet pairing sharply peaked at $n\ensuremath{\approx}0.73$ due to the Van Hove singularity is replaced by a plateau of the singlet ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ paring, while for $U\ensuremath{\gtrsim}3t$ the effective couplings are consistent with the ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ high-temperature superconductivity in the hole-doped region near cuprates' optimal doping.
We examine the effects of a van Hove singularity (vHs) in the density of states (DOS) of a two dimensional, t−t′−Ut-t'-Ut−t′−U Hubbard model within the local approximation. Within our approximation the non-interacting Fermi surface is always retained away from half-filling; and we find that the vHs in the DOS survives, and for hole doping is nearly "pinned" to the Fermi level due to the enhancement of the effective mass, m∗m^*m∗. We discuss the electron-hole asymmetry of this phenomena and its relevance to the electron and hole doped cuprates. At optimal (hole) doping, with the Fermi level at the vHs, we find that the single particle damping rate ΓΓΓ, and the resistivity ρdcρ_{dc}ρdc​, scale as TTT for moderately low temperatures (T≳100T \gtrsim 100T≳100K), while for the electron doped system ΓΓΓ and ρdc∼T2ρ_{dc} \sim T^2ρdc​∼T2.
Motivated by recent experiments realizing correlated phenomena and superconductivity in two-dimensional (2D) van der Waals devices, we consider the general problem of whether correlation effects may be enhanced by modifying band structure while keeping a fixed weak interaction strength. Using determinantal quantum Monte Carlo, we study the 2D Hubbard model for two different band structures: a regular nearest-neighbor tight-binding model and a partially flat-band structure containing a nondispersing region, with identical total noninteracting bandwidth Wtot{W}_{\mathrm{tot}}Wtot​. For both repulsive and attractive weak interactions ($|U|\ensuremath{\ll}{W}_{\mathrm{tot}}$), correlated phenomena are significantly stronger in the partially flat model. In the repulsive case, even with UUU being an order of magnitude smaller than Wtot{W}_{\mathrm{tot}}Wtot​, we find the presence of a Mott insulating state near half filling of the flat region in momentum space. In the attractive case, where generically the ground state is superconducting, the partially flat model exhibits significantly enhanced superconducting transition temperatures. These results suggest the possibility of engineering correlation effects in materials by tuning the noninteracting electronic dispersion.