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arXiv:1104.3261 · Physical Review B

Role of the van Hove singularity in the quantum criticality of the Hubbard model

K.-S. Chen, Sandeep Pathak, Shuxiang Yang, Shi-Quan Su, D. Galanakis, Karlis Mikelsons, Mark Jarrell, Juana Moreno

Published Dec 12, 2011• 29 citations
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Abstract

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 $d$-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 $d$-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 $d$-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 $T$ 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.

DOI
10.1103/physrevb.84.245107

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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′{t}^{\ensuremath{'}}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′{t}^{\ensuremath{'}}t\ensuremath′ increases the doping region with marginal Fermi liquid character. Both TTT and negative t\ensuremath′{t}^{\ensuremath{'}}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.
When a van Hove singularity is located in the vicinity of the Fermi level, the electronic scattering rate acquires a nonanalytic contribution. This invalidates basic assumptions of Fermi liquid theory and within treatments based on perturbation theory leads to a non-Fermi liquid self-energy and transport properties. Such anomalies are shown to also occur in the strongly correlated metallic state within dynamical mean-field theory. We consider the Hubbard model on a two-dimensional square lattice with nearest- and next-nearest-neighbor hoppings within the single-site dynamical mean-field theory. At temperatures on the order of the low-energy scale T0{T}_{0}T0​ an unusual maximum emerges in the imaginary part of the self-energy which is renormalized toward the Fermi level for finite doping. At zero temperature this double-well structure is suppressed but an anomalous energy dependence of the self-energy remains. For the frustrated Hubbard model on the square lattice with next-nearest-neighbor hopping, the presence of the van Hove singularity changes the asymptotic low-temperature behavior of the resistivity from a Fermi liquid to non-Fermi liquid dependency as function of doping. The results of this work are discussed regarding their relevance for high-temperature cuprate superconductors.
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.
Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a non-Fermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t', we find a classical critical point at temperature Tc. This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature Tc extrapolates to zero as t' vanishes, we conclude that a QCP connects the Fermi liquid to the pseudo-gap region, and that the marginal Fermi-liquid behaviour in its vicinity is the analogue of the supercritical region in the liquid-gas transition. © 2011 The Royal Society.
Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a non-Fermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t', we find a classical critical point at temperature T(c). This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature T(c) extrapolates to zero as t' vanishes, we conclude that a QCP connects the Fermi liquid to the pseudo-gap region, and that the marginal Fermi-liquid behaviour in its vicinity is the analogue of the supercritical region in the liquid-gas transition.
Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a nonFermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t � , we find a classical critical point at temperature Tc. This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature Tc extrapolates to zero
We have investigated the magnetism and pairing correlations of the triangular lattice based on the Hubbard model using the determinant quantum Monte Carlo method and the constrained path Monte Carlo. The results show that the presence of the next-nearest-neighbor hopping integral ${t}^{\ensuremath{'}}$ introduces an additional energy scale to the system, and through ${t}^{\ensuremath{'}}$, one can regulate the shape of the density of states and thus the position of the van Hove singularity point. Increasing inverse temperature $\ensuremath{\beta}$ and on-site interaction UUU favor the formation of ferromagnetic correlation in a rather large filling region, and the calculations for different lattice sizes show that the range of the ferromagnetic correlations is smaller than the smallest lattice simulated at the investigated temperatures. We study the different pairing correlations of the triangular lattice near several typical fillings and show that the fff-wave pairing dominates the system in the filling region near the van Hove singularity point with a high density of states, where the ferromagnetic correlation is also enhanced. When the filling is close to half-filling, the pairing susceptibility with fff wave is suppressed and the pairing susceptibility of fn{f}_{n}fn​ wave is enhanced, however, both the effective pairing interaction with fff wave and fn{f}_{n}fn​ wave are negative, which indicates that neither fff-wave nor fn{f}_{n}fn​-wave superconductivity may exist. Finally, we find that the pairing channel of different symmetry in the system maybe closely related to the magnetic properties. Ferromagnetic fluctuation favors the formation of fff-wave pairing, while antiferromagnetic fluctuation tends to promote fn{f}_{n}fn​-wave pairing.