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arXiv:1207.0796 · Physical Review B

Lifshitz transition in the two-dimensional Hubbard model

K.-S. Chen, Zi Yang Meng, Thomas Pruschke, Juana Moreno, Mark Jarrell

Published Oct 31, 2012• 52 citations
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Abstract

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 $d$-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.

DOI
10.1103/physrevb.86.165136

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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′{t}^{\ensuremath{'}}t\ensuremath′), chemical potential, and temperature as control parameters. At t\ensuremath′\ensuremath≤0{t}^{\ensuremath{'}}\ensuremath{\le}0t\ensuremath′\ensuremath≤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′{t}^{\ensuremath{'}}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≤0{t}^{\ensuremath{'}}\ensuremath{\le}0t\ensuremath′\ensuremath≤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.
In a recent publication [Chen et al., Phys. Rev. B 86, 165136 (2012)], we identified a line of Lifshitz transition points separating the Fermi liquid and pseudogap regions in the hole-doped two-dimensional Hubbard model. Here, we extend the study to further determine the superconducting transition temperature in the phase diagram. By means of large-scale dynamical cluster quantum Monte Carlo simulations, we are able to identify the evolution of the ddd-wave superconducting dome in the hole-dope side of the phase diagram, with next-nearest-neighbor hopping (${t}^{\ensuremath{'}}$), chemical potential, and temperature as control parameters. To obtain the superconducting transition temperature Tc{T}_{c}Tc​, we employ two-particle measurements of the pairing susceptibilities. As ${t}^{\ensuremath{'}}$ goes from positive to negative values, we find the ddd-wave projected irreducible pairing vertex function is enhanced, and the curvature of its doping dependence changes from convex to concave, which fixes the position of the maximum superconducting temperature at the same filling ($n\ensuremath{\approx}0.85$) and constraints the dome from precisely following the Lifshitz line. We furthermore decompose the irreducible vertex function into fully irreducible, charge and spin components via the parquet equations, and consistently find that the spin component dominates the pairing vertex function in the doping range where the dome is located. Our investigations deepen the understanding of the phase diagram of the two-dimensional Hubbard model and, more importantly, pose new questions to the field. For example, we found as ${t}^{\ensuremath{'}}$ goes from positive to negative values, the curvature of the pairing strength as a function of doping changes from convex to concave, and the nature of the dominant fluctuations changes from charge degree of freedom to spin degree of freedom. The study of these issues will lead to further understanding of the phase diagram of the two-dimensional Hubbard model and also the physics of the hole-doped cuprate high-temperature superconductors.
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.
We examine the quasiparticle lifetime and spectral weight near the Fermi surface in the two-dimensional Hubbard model. We use the FLEX approximation to self-consistently generate the Matsubara Green's functions and then we analytically continue to the real axis to obtain the quasiparticle spectral functions. We compare the spectral functions found in the nearest neighbor hopping only Hubbard model with those found when second neighbor hopping is included. This separates the effects of nesting, the Van Hove singularity and the short-ranged antiferromagnetic correlations. The quasiparticle scattering rate is enhanced along the (0,pi) to (pi,pi) Brillouin zone diagonal. When the density is close to half-filling these 'hot-spots' lie on the Fermi surface and the scattering rate increases with decreasing temperature. For the next-nearest neighbor hopping scenario we observe a large range of doping where there is no antiferromagnetism but the scattering rate has a linear temperature dependence. On decreasing the interaction this non-Fermi liquid behavior is confined to doping levels where the Fermi energy lies near to the Van Hove singularity. We conclude that the 'hot-spots' are associated with the antiferromagnetic phase transition while the linear temperature dependence of the scattering rate is associated with the Van Hove singularity.
We consider the two-dimensional $t\ensuremath{-}{t}^{\ensuremath{'}}$ Hubbard model with the Fermi level being close to Van Hove singularities. The phase diagram of the model is discussed. Far from the quantum phase transition (QPT) into ferro- (antiferro-) magnetic states, the self-energy at the singularity points has a nearly linear energy dependence, the density of states being proportional to ${\mathrm{ln}}^{3}|\ensuremath{\varepsilon}|.$ In the quantum-disordered and quantum-critical regimes near the QPT a scaling approach is used. At small energies the self-energy demonstrates a powerlike behavior with the exponent changing from unity to zero in a narrow energy interval. Provided that the system is close to ferromagnetic instability which occurs at ${t}^{\ensuremath{'}}/\stackrel{\ensuremath{\rightarrow}}{t}\ensuremath{-}1/2,$ the quasiparticle spectral weight has, instead of a narrow peak, a broad maximum and is nonmonotonous at small energies. The application of the results to cuprates is discussed.
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.