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arXiv:0909.0498 · Physical Review B

Thermodynamics of the quantum critical point at finite doping in the two-dimensional Hubbard model studied via the dynamical cluster approximation

Karlis Mikelsons, Ehsan Khatami, D. Galanakis, Alexandru Macridin, Juana Moreno, Mark Jarrell

Published Oct 8, 2009• 39 citations
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Abstract

We study the thermodynamics of the two-dimensional Hubbard model within the dynamical cluster approximation. We use continuous time quantum Monte Carlo as a cluster solver to avoid the systematic error which complicates the calculation of the entropy and potential energy (double occupancy). We find that at a critical filling, there is a pronounced peak in the entropy divided by temperature, $S/T$, and in the normalized double occupancy as a function of doping. At this filling, we find that specific heat divided by temperature, $C/T$, increases strongly with decreasing temperature and kinetic and potential energies vary like ${T}^{2}\text{ }\text{ln}\text{ }T$. These are all characteristics of quantum critical behavior.

DOI
10.1103/physrevb.80.140505

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We study the thermodynamics of the two-dimensional Hubbard model within the dynamical cluster approximation. We use continuous time quantum Monte Carlo as a cluster solver to avoid the systematic error which complicates the calculation of the entropy and potential energy (double occupancy). We find that at a critical filling, there is a pronounced peak in the entropy divided by temperature, S/TS/TS/T, and in the normalized double occupancy as a function of doping. At this filling, we find that specific heat divided by temperature, C/TC/TC/T, increases strongly with decreasing temperature and kinetic and potential energies vary like T2 ln T{T}^{2}\text{ }\text{ln}\text{ }TT2 ln T. These are all characteristics of quantum critical behavior.
We study the thermodynamics of the two-dimensional Hubbard model within the dynamical cluster approximation. We use continuous time quantum Monte Carlo as a cluster solver to avoid the systematic error which complicates the calculation of the entropy and potential energy (double occupancy). We find that at a critical filling, there is a pronounced peak in the entropy divided by temperature, S/T, and in the normalized double occupancy as a function of doping. At this filling, we find that specific heat divided by temperature, C/T, increases strongly with decreasing temperature and kinetic and potential energies vary like T2 lnT. These are all characteristics of quantum critical behavior. © 2009 The American Physical Society.
Recent experiments on cuprates show that as a function of doping, the normal-state specific heat sharply peaks at the doping ${\ensuremath{\delta}}^{*}$, where the pseudogap ends at low temperature. This finding is taken as the thermodynamic signature of a quantum critical point, whose nature has not yet been identified. Here we present calculations for the two-dimensional Hubbard model in the doped Mott insulator regime, which indicate that the specific heat anomaly can arise from the finite-temperature critical end point of a first-order transition between a pseudogap phase with dominant singlet correlations and a metal. As a function of doping at the temperature of the end point, the specific heat diverges. Upon increasing temperature, the peak becomes broader. The diverging correlation length is associated with uniform density fluctuations. No broken symmetries are needed. These anomalies also occur at half-filling as a function of interaction strength, and are relevant for organic superconductors and ultracold atoms.
We present results for the equation of state of the two-dimensional Hubbard model on an isotropic square lattice as obtained from a controlled and numerically exact large-cluster dynamical mean field simulation. Our results are obtained for large but finite systems and are extrapolated to infinite system size using a known finite-size scaling relation, and are supplemented by reliable error bars accounting for all sources of errors. We establish the importance of examining the decay of spatial spin correlations to determine whether a sufficiently large cluster has been used and with this in mind we present the energy, entropy, double occupancy, and nearest-neighbor spin correlations extrapolated to the thermodynamic limit. We discuss the implications of these calculations on pseudogap physics of the 2D Hubbard model away from half filling, where we find a strong behavioral shift in energy below a temperature T∗{T}^{*}T∗ which becomes more pronounced for larger clusters. Finally, we provide reference calculations and tables for the equation of state for values of doping away from half filling which are of interest to cold-atom experiments.
We study the pseudogaps in the spectra of the 2D Hubbard model using both finite-size and dynamical cluster approximation (DCA) quantum Monte Carlo calculations. At half-filling, a charge pseudogap, accompanied by non-Fermi-liquid behavior in the self-energy, is shown to persist in the thermodynamic limit. The DCA (finite-size) method systematically underestimates (overestimates) the width of the pseudogap. A spin pseudogap is not seen at half-filling. At finite doping, a divergent d-wave pair susceptibility is observed.
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 explore the Matsubara quasiparticle fraction and the pseudogap of the two-dimensional Hubbard model with the dynamical cluster quantum Monte Carlo method. The character of the quasiparticle fraction changes from non-Fermi-liquid, to marginal Fermi liquid, to Fermi liquid as a function of doping, indicating the presence of a quantum critical point separating non-Fermi-liquid from Fermi-liquid character. Marginal Fermi-liquid character is found at low temperatures at a very narrow range of doping where the single-particle density of states is also symmetric. At higher doping the character of the quasiparticle fraction is seen to cross over from Fermi liquid to marginal Fermi liquid as the temperature increases.