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arXiv:2109.06572

Doping-driven pseudogap-metal-to-metal transition in correlated electron systems

Lorenzo Fratino, Soumen Bag, Alberto Camjayi, Marcello Civelli, Marcelo J. Rozenberg

Published Sep 14, 2021• 1 citation
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Abstract

We establish that a doping-driven first-order metal-to-metal transition, from a pseudogap metal to Fermi Liquid, can occur in correlated quantum materials. Our result is based on the exact Dynamical Mean Field Theory solution of the Dimer Hubbard Model. This transition elucidates the origin of many exotic features in doped Mott materials, like the pseudogap in cuprates, incoherent bad metals, enhanced compressibility and orbital selective Mott transition. This phenomenon is suggestive to be at the roots of the many exotic phases appearing in the phase diagram of correlated materials.

DOI
10.48550/arxiv.2109.06572

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We establish that a doping-driven first-order metal-to-metal transition, from a pseudogap metal to Fermi Liquid, can occur in correlated quantum materials. Our result is based on the exact Dynamical Mean Field Theory solution of the Dimer Hubbard Model. This transition elucidates the origin of many exotic features in doped Mott materials, like the pseudogap in cuprates, incoherent bad metals, enhanced compressibility and orbital selective Mott transition. This phenomenon is suggestive to be at the roots of the many exotic phases appearing in the phase diagram of correlated materials.
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.
An intricate interplay between superconductivity, pseudogap, and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified perspective of this interplay in the two-dimensional Hubbard model within cellular dynamical mean-field theory on a 2×2 plaquette and using the continuous-time quantum Monte Carlo method as impurity solver. Both at half filling and at finite doping, the metallic normal state close to the Mott insulator is unstable to d-wave superconductivity. Superconductivity can destroy the first-order transition that separates the pseudogap phase from the overdoped metal, yet that normal state transition leaves its marks on the dynamic properties of the superconducting phase. For example, as a function of doping one finds a rapid change in the particle-hole asymmetry of the superconducting density of states. In the doped Mott insulator, the dynamical mean-field superconducting transition temperature T(c)(d) does not scale with the order parameter when there is a normal-state pseudogap. T(c)(d) corresponds to the local pair formation temperature observed in tunneling experiments and is distinct from the pseudogap temperature.
Abstract Non-Fermi liquid behavior and pseudogap formation are among the most well-known examples of exotic spectral features observed in several strongly correlated materials such as the hole-doped cuprates, nickelates, iridates, ruthenates, ferropnictides, doped Mott organics, transition metal dichalcogenides, heavy fermions, d- and f-electron metals, etc. We demonstrate that these features are inevitable consequences when fermions couple to an unconventional Bose metal (Hegg et al 2021 Proc. Natl. Acad. Sci. 118) mean field consisting of lower-dimensional coherence. Not only do we find both exotic phenomena, but also a host of other features that have been observed e.g. in the cuprates including nodal anti-nodal dichotomy and pseudogap asymmetry (symmetry) in momentum (real) space. Obtaining these exotic and heretofore mysterious phenomena via a mean field offers a simple, universal, and therefore widely applicable explanation for their ubiquitous empirical appearance.
Tools of quantum information theory offer a new perspective to characterize phases and phase transitions in interacting many-body quantum systems. The Hubbard model is the archetypal model of such systems and can explain rich phenomena of quantum matter with minimal assumptions. Recent measurements of entanglement-related properties of this model using ultracold atoms in optical lattices hint that entanglement could provide the key to understanding open questions of the doped Hubbard model, including the remarkable properties of the pseudogap phase. These experimental findings call for a theoretical framework and new predictions. Here we approach the doped Hubbard model in two dimensions from the perspective of quantum information theory. We study the local entropy and the total mutual information across the doping-driven Mott transition within plaquette cellular dynamical mean-field theory. We find that upon varying doping these two entanglement-related properties detect the Mott insulating phase, the strongly correlated pseudogap phase, and the metallic phase. Imprinted in the entanglement-related properties we also find the pseudogap to correlated metal first-order transition, its finite temperature critical endpoint, and its supercritical crossovers. Through this footprint we reveal an unexpected interplay of quantum and classical correlations. Our work shows that sharp variation in the entanglement-related properties and not broken symmetry phases characterizes the onset of the pseudogap phase at finite temperature.
The four-site "DCA" method of including intersite correlations in the dynamical mean-field theory is used to investigate the metal-insulator transition in the Hubbard model. At half-filling a gap-opening transition is found to occur as the interaction strength is increased beyond a critical value. The gapped behavior found in the 4-site DCA approximation is shown to be associated with the onset of strong antiferromagnetic and singlet correlations and the transition is found to be potential energy driven. It is thus more accurately described as a Slater phenomenon (induced by strong short-range order) than as a Mott phenomenon. Doping the gapped phase leads to a non–Fermi-liquid state with a Fermi surface only in the nodal regions and a pseudogap in the antinodal regions at lower dopings x ≲0.15 and to a Fermi-liquid phase at higher dopings.
Superconductivity in the cuprates exhibits many unusual features. We study the two-dimensional Hubbard model with plaquette dynamical mean-field theory to address these unusual features and relate them to other normal-state phenomena, such as the pseudogap. Previous studies with this method found that upon doping the Mott insulator at low temperature a pseudogap phase appears. The low-temperature transition between that phase and the correlated metal at higher doping is first-order. A series of crossovers emerge along the Widom line extension of that first-order transition in the supercritical region. Here we show that the highly asymmetric dome of the dynamical mean-field superconducting transition temperature Tc(d), the maximum of the condensation energy as a function of doping, the correlation between maximum Tc(D) and normal-state scattering rate, the change from potential-energy driven to kinetic-energy driven pairing mechanisms can all be understood as remnants of the normal state first-order transition and its associated crossovers that also act as an organizing principle for the superconducting state.