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arXiv:2403.13054

Signatures of metal to insulator crossover in the repulsive Fermi Hubbard model through static correlations

Sayantan Roy, Sameed Pervaiz, Thereza Paiva, Nandini Trivedi

Published Mar 19, 2024• 0 citations
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Abstract

Cold atom systems provide a rich platform to realize strongly interacting condensed matter systems, and recent progress in fluorescence imaging technique has enabled identification of nontrivial doublon, singlon, and holon correlation functions. We show that these correlators can be used to identify the conditions under which local moments form in an interacting electronic system. Toward this end, we report a Determinantal Quantum Monte Carlo (DQMC) study of such correlation functions in the two-dimensional repulsive Fermi Hubbard model on a square lattice as a function of doping, interaction strength and temperature. We find definite signatures of the crossover from small U(band regime) to large U(correlated insulator regime). Our key findings are: (1) An opening of a charge gap in the thermodynamic density of states is accompanied by the appearance of temperature insensitive points in the equation of state at finite doping, which can be used to distinguish the band regime in cold atom experiments. (2) Nearest neighbor doublon holon correlations track the opening of charge gap; these compete with density correlations to generate moment moment correlations that show different behavior in the metallic and correlated insulator regime. (3) Non local correlation functions can be used to distinguish between the two regimes, both at and away from half filling. Our results allow comparisons of different correlation functions with recent experimental findings and guide further experimental investigations.

DOI
10.48550/arxiv.2403.13054

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The 2D Hubbard model with nearest-neighbor hopping on the square lattice and an average of one electron per site is known to undergo an extended crossover from metallic to insulating behavior driven by proliferating antiferromagnetic correlations. We study signatures of this crossover in spin and charge correlation functions and present results obtained with controlled accuracy using the diagrammatic Monte Carlo approach in the range of parameters amenable to experimental verification with ultracold atoms in optical lattices. The qualitative changes in charge and spin correlations associated with the crossover are observed at well-separated temperature scales, which encase the intermediary regime of non-Fermi-liquid character, where local magnetic moments are formed and nonlocal fluctuations in both channels are essential.
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We study thermodynamic properties of the doped Hubbard model on the square lattice in the regime of strong charge and spin fluctuations at low temperatures near the metal-to-insulator crossover and obtain results with controlled accuracy using the diagrammatic Monte Carlo method directly in the thermodynamic limit. The behavior of the entropy reveals a non-Fermi-liquid state at sufficiently high interactions near half filling: A maximum in the entropy at nonzero doping develops as the coupling strength is increased, along with an inflection point, evidencing a metal to non-Fermi-liquid crossover. The specific heat exhibits additional distinctive features of a non-Fermi-liquid state. Measurements of the entropy can, therefore, be used as a probe of the state of the system in quantum simulation experiments with ultracold atoms in optical lattices.
The interaction-driven evolution from a Fermi liquid to a Mott insulator is a hallmark of strongly correlated fermion systems. In this work, we present a {\it numerically unbiased} study of such metal-to-insulator crossover in the half-filled square-lattice Hubbard model at finite temperatures, employing auxiliary-field quantum Monte Carlo method. By jointly analyzing thermodynamic and dynamical observables, we establish the crossover diagram of the model in the temperature-interaction (TTT-UUU) plane. With increasing UUU, our numerical results reveal an extended crossover regime, which we refer to as the {\it Bad Metal}, that separates the Fermi liquid and Mott insulator. During the crossover, we also examine the antiferromagnetic spin correlations and observe pronounced nodal-antinodal dichotomy in the momentum-resolved single-particle spectral functions. Furthermore, we investigate the temperature dependence of several commonly used observables in the model. As representative results, we achieve an accurate map of the thermal entropy across the crossover diagram, and identify the parameter regions in which the model exhibits the Pomeranchuk cooling, characterized by an adiabatic cooling with increasing UUU. Beyond offering a more refined understanding of the crossover phenomenon, our work also provides valuable benchmark and guideline for future optical lattice experiments on the square-lattice Hubbard model.