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Crystals

Non-Fermi Liquid Behavior in the Three-Dimensional Hubbard Model

Samuel Kellar, Ka-Ming Tam, Juana Moreno

Published Jan 6, 2023• 2 citations
Publisher

Abstract

We present a numerical study on the non-Fermi liquid behavior of a three-dimensional strongly correlated system. The Hubbard model in a simple cubic lattice is simulated by the dynamical cluster approximation; in particular, the quasi-particle weight is calculated at finite dopings for a range of temperatures. By fitting the quasi-particle weight to the marginal Fermi liquid form at finite doping near the putative quantum critical point, we find evidence of a separatrix between Fermi liquid and non-Fermi liquid regions. Our results suggest that a marginal Fermi liquid and possibly a quantum critical point exist in the non-symmetry broken solution of the three-dimensional interacting electron systems. We also calculate the spectral function, close to the half-filling, and we obtain evidence of pseudogap.

DOI
10.3390/cryst13010106

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We present a numerical study on the non-Fermi liquid behavior of a three-dimensional strongly correlated system. The Hubbard model in a simple cubic lattice is simulated by the dynamical cluster approximation; in particular, the quasi-particle weight is calculated at finite dopings for a range of temperatures. By fitting the quasi-particle weight to the marginal Fermi liquid form at finite doping near the putative quantum critical point, we find evidence of a separatrix between Fermi liquid and non-Fermi liquid regions. Our results suggest that a marginal Fermi liquid and possibly a quantum critical point exist in the non-symmetry broken solution of the three-dimensional interacting electron systems. We also calculate the spectral function, close to the half-filling, and we obtain evidence of pseudogap.
We present a numerical study on non-Fermi liquid behaviour of a three dimensional system. The Hubbard model in a cubic lattice is simulated by the dynamical cluster approximation, in particular the quasi-particle weight is calculated at finite dopings for a range of temperatures. Near the putative quantum critical point, we find evidence of a separatrix at a finite doping which separates the Fermi liquid from non-Fermi liquid as the doping increases. Our results suggest that a marginal Fermi liquid and possibly a quantum critical point should exist in the three dimensions interacting Fermi system.
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.
The effect of doping in the two-dimensional Hubbard model is studied within finite temperature exact diagonalization combined with cluster dynamical mean field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto 2x2 clusters, a considerably more accurate description of the low frequency properties of the self-energy is achieved than in a pure site picture. The transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest neighbor hopping, and temperature. In particular, the self-energy component Sigma_X associated with X=(pi,0) is shown to exhibit an onset of non-Fermi-liquid behavior as the hole doping decreases below a critical value delta_c. The imaginary part of Sigma_X(omega) then develops a collective mode above E_F, which exhibits a distinct dispersion with doping. Accordingly, the real part of Sigma_X(omega) has a positive slope above E_F, giving rise to an increasing particle-hole asymmetry as the system approaches the Mott transition. This behavior is consistent with the removal of spectral weight from electron states close to E_F and the opening of a pseudogap which increases with decreasing doping. The phase diagram reveals that delta_c = 0.15 ... 0.20 for various system parameters. For electron doping, the collective mode of Sigma_X(omega) and the concomitant pseudogap are located below the Fermi energy which is consistent the removal of spectral weight from hole states just below E_F. The critical doping which marks the onset of non-Fermi-liquid behavior, is systematically smaller than for hole doping.
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
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.