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arXiv:1009.2563 · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

Quantum criticality and incipient phase separation in the thermodynamic properties of the Hubbard model

D. Galanakis, E. Khatami, K. Mikelsons, A. Macridin, J. Moreno, D. A. Browne, M. Jarrell

Published Mar 21, 2011• 18 citations
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Abstract

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.

DOI
10.1098/rsta.2010.0228

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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 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 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 investigate the two-dimensional Hubbard model with next-nearest-neighbor hopping, ${t}^{\ensuremath{'}}$, using the dynamical cluster approximation. We confirm the existence of a first-order phase-separation transition terminating at a second-order critical point at filling ${n}_{c}({t}^{\ensuremath{'}})$ and temperature ${T}_{ps}({t}^{\ensuremath{'}})$. We find that as ${t}^{\ensuremath{'}}$ approaches zero, ${T}_{ps}({t}^{\ensuremath{'}})$ vanishes and ${n}_{c}({t}^{\ensuremath{'}})$ approaches the filling associated with the quantum critical point separating the Fermi liquid from the pseudogap phase. We propose that the quantum critical point under the superconducting dome is the zero-temperature limit of the line of second-order critical points.
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.
Many properties of the two-dimensional Hubbard model have been explored for the model parameters appropriate for strongly correlated electronic systems, especially cuprate superconductors.Most of the calculations are done using a well-established dynamical cluster quantum Monte Carlo method.Using this method, we investigate the effect of long-range hoppings on superconductivity with and without the presence of phonons on small clusters.The superconducting transition temperature, T c , is found to generally decrease with a negative next nearest neighbor hopping, t ′ .In the presence of the Holstein phonons, a finite t ′ enhances T c in the under-doped region for the hole-doped system, consistent with band structure calculations and experiment.The validity of the spin-susceptibility-mediated pairing in this model is studied and found to yield symmetries other than d-wave when a finite t ′ is considered.A new numerical algorithm for solving the embedded cluster problems is introduced, and used to calculate the thermodynamic properties of the model on larger clusters, especially those associated with the quantum critical behavior at finite doping.Our results suggest that the quantum critical point (QCP) which separates the Fermi liquid and pseudogap regions, is the second order terminus of the line of first order phase separation transition in the limit when a positive t ′ goes to zero.For small t ′ , the superconducting dome is centered at the QCP, suggesting that charge fluctuations might have a role in the pairing mechanism in this model.I am very thankful to University of Cincinnati for providing me with the opportunity to pursue my education and the support I received during my program.Part of this thesis is a result of my work as a researcher at Louisiana State University.I am also thankful to them for their support.I would like to thank my adviser, Mark Jarrell, who taught me how to be an effective researcher, provided me with the opportunities to interact with other professionals and fully supported me financially for most of the duration of the
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.