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arXiv:1707.06602 · Physical Review X

Pseudogap and Fermi-Surface Topology in the Two-Dimensional Hubbard Model

Wéi Wú, Mathias S. Scheurer, Shubhayu Chatterjee, Subir Sachdev A, Antoine Georges, Michel Ferrero

Published May 22, 2018• 138 citations
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Abstract

Recent experiments on the normal state of high-temperature superconductors have found a surprising link between the existence of a pseudogap and changes in the topology of the Fermi surface. A new theoretical and computational analysis explores this connection.
DOI
10.1103/physrevx.8.021048

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Despite the intense theoretical and experimental effort, an understanding of the superconducting pairing mechanism of the high-temperature superconductors is still lacking. An additional puzzle is the unknown connection between the superconducting gap and the so-called pseudogap which is a central property of the most unusual normal state. Angle-resolved photoemission spectroscopy (ARPES) measurements have revealed a gap-like behavior on parts of the Fermi surface, leaving a non-gapped segment known as Fermi arc around the diagonal of the Brillouin zone. Starting from the ttt-JJJ model, in this paper we present a microscopic approach to investigate physical properties of the pseudogap phase in the framework of a novel renormalization scheme called PRM. This approach is based on a stepwise elimination of high-energy transitions using unitary transformations. We arrive at a renormalized 'free' Hamiltonian for correlated electrons. The ARPES spectral function along the Fermi surface turns out to be in good agreement with experiment: We find well-defined excitation peaks around ω=0ω=0ω=0 near the nodal direction, which become strongly suppressed around the antinodal point. The origin of the pseudogap can be traced back to a suppression of spectral weight from incoherent excitations in a small ωωω-range around the Fermi energy. In a subsequent paper, also the supercunducting phase at moderate hole doping will be discussed within the PRM approach.
Recently developed numerical methods have enabled the explicit construction of the superconducting state of the Hubbard model of strongly correlated electrons in parameter regimes where the model also exhibits a pseudogap and a Mott insulating phase. d(x(2)-y(2)) symmetry superconductivity is found to occur in proximity to the Mott insulator, but separated from it by a pseudogapped nonsuperconducting phase. The superconducting transition temperature and order parameter amplitude are found to be maximal at the onset of the normal-state pseudogap. The emergence of superconductivity from the normal state pseudogap leads to a decrease in the excitation gap. All of these features are consistent with the observed behavior of the copper-oxide superconductors.
In conventional superconductors described by the Bardeen-Cooper-Schrieffer (BCS) Theory, the transition from the normal to the superconducting state is accompanied by a reduction in the potential energy and an increase in the kinetic energy. On the other hand, in high-temperature superconductors the potential and the kinetic energies present an unconventional behavior that may be strongly related to the pseudogap phenomena. In this work, the kinetic and potential energies in the superconducting state of the two-dimensional Hubbard model were analyzed. The model is investigated using the Green’s function method within a n-pole approximation, which allows superconductivity with dx2�����y2-wave pairing. In the present scenario, a pseudogap emerges near the anti-nodal points in the Fermi surface, when the strong coupling regime is reached. The results show that in the low doping region, the system enters the strong coupling regime and the opening of a pseudogap is followed by a decrease in the kinetic energy and an increase in the potential energy. A phase diagram of Coulomb interaction U versus the occupation nT is also presented. This phase diagram shows clearly that the pseudogap regime coincides with the strong coupling regime in which the kinetic and potential energies present an unconventional behavior. The analysis of the density of states and the chemical potential showed that the unconventional behavior of the potential and kinetic energies occurs due to the pseudogap emergence in the high occupancy region. It was also observed that the pseudogap emergence, when the occupancy increases, is preceded by a change in the Fermi surface topology, which characterizes a Lifshitz transition. Both the pseudogap and the Lifshitz transition are affected by the next-nearest neighbor hopping t2 (of the Hubbard model). This result is in accordance with recent theoretical and experimental results for the Hubbard model and the cuprates.
The transition between a metallic and a pseudogap phase in high-Tc{T}_{c}Tc​ cuprate superconductors, which is the subject of recent experimental investigations, is studied theoretically within the Hubbard model. We apply the cluster dynamical impurity approximation to the anisotropic Hubbard model on the square lattice at zero temperature and finite doping. This approach can detect a first-order transition between two metallic states: a pseudogap state at low doping with a depleted density of states at the Fermi level and a correlated metal at higher doping. This transition was seen first in the cluster dynamical mean-field theory at finite temperatures by Sordi et al. [Phys. Rev. Lett. 108, 216401 (2012)] on the isotropic Hubbard model. Here we investigate this transition at zero temperature and as a function of on-site interaction UUU, anisotropy ty/tx{t}_{y}/{t}_{x}ty​/tx​, and doping. We find a first-order transition line which ends at a critical point, which occurs around ${t}_{y}/{t}_{x}\ensuremath{\sim}0.5$.
We study the relationship between the pseudogap and Fermi-surface topology in the two-dimensional Hubbard model by means of the cellular dynamical mean-field theory. We find two possible mean-field metallic solutions on a broad range of interactions, doping, and frustration: a conventional renormalized metal and an unconventional pseudogap metal. At half filling, the conventional metal is more stable and displays an interaction-driven Mott metal-insulator transition. However, for large interactions and small doping, a region that is relevant for cuprates, the pseudogap phase becomes the ground state. By increasing doping, we show that a first-order transition from the pseudogap to the conventional metal is tied to a change of the Fermi surface from hole- to electronlike, unveiling a correlation-driven mechanism for a Lifshitz transition. This explains the puzzling link between the pseudogap phase and Fermi surface topology that has been pointed out in recent experiments.