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arXiv:2208.09144 · Science

The Wiedemann-Franz law in doped Mott insulators without quasiparticles

Wen O. Wang, Jixun K. Ding, Yoni Schattner, Edwin W. Huang, Brian Moritz, Thomas Devereaux

Published Nov 30, 2023• 15 citations
arXivHTMLPDF

Abstract

Many metallic quantum materials display anomalous transport phenomena that defy a Fermi liquid description. Here, we use numerical methods to calculate thermal and charge transport in the doped Hubbard model and observe a crossover separating high- and low-temperature behaviors. Distinct from the behavior at high temperatures, the Lorenz number [Formula: see text] becomes weakly doping dependent and less sensitive to parameters at low temperatures. At the lowest numerically accessible temperatures, [Formula: see text] roughly approaches the Wiedemann-Franz constant [Formula: see text], even in a doped Mott insulator that lacks well-defined quasiparticles. Decomposing the energy current operator indicates a compensation between kinetic and potential contributions, which may help to clarify the interpretation of transport experiments beyond Boltzmann theory in strongly correlated metals.

DOI
10.1126/science.ade3232

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Many metallic quantum materials display anomalous transport phenomena that defy a Fermi liquid description. Here, we use numerical methods to calculate thermal and charge transport in the doped Hubbard model and observe a crossover separating high- and low-temperature behaviors. Distinct from the behavior at high temperatures, the Lorenz number [Formula: see text] becomes weakly doping dependent and less sensitive to parameters at low temperatures. At the lowest numerically accessible temperatures, [Formula: see text] roughly approaches the Wiedemann-Franz constant [Formula: see text], even in a doped Mott insulator that lacks well-defined quasiparticles. Decomposing the energy current operator indicates a compensation between kinetic and potential contributions, which may help to clarify the interpretation of transport experiments beyond Boltzmann theory in strongly correlated metals.
We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension ddd as well as the infinite-ddd limit, arbitrary electron density nnn, and both finite and infinite repulsion UUU. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large UUU, they are featureless with characteristic widths of the order of the lattice hopping parameter ttt. In the infinite-ddd limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for $T\ensuremath{\gtrsim}(1\ensuremath{-}n)D$, the Brinkman-Rice scale. The resistivity increases linearly in TTT at high temperature without saturation. This results from the 1/T1/T1/T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high TTT. We find that $\ensuremath{\sigma}(n,T)\ensuremath{\approx}(1\ensuremath{-}n)\ensuremath{\sigma}(n=0,T)$ to a very good approximation for all nnn, with $\ensuremath{\sigma}(n=0,T)\ensuremath{\propto}t/T$ at high temperatures. The saturation at small nnn occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The TTT dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing TTT. At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1/T21/{T}^{2}1/T2. The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic correlations or ultracold atomic gases in an optical lattice is briefly discussed.
The Hall coefficient exhibits anomalous behavior in lightly doped Mott insulators. For strongly interacting electrons its computation has been challenged by analytical and numerical obstacles. We calculate the leading contributions in the recently derived thermodynamic formula for the Hall coefficient. We obtain its doping and temperature dependence for the square lattice tJ-model at high temperatures. The second order corrections are evaluated to be negligible. Quantum Monte Carlo sampling extends our results to lower temperatures. We find a divergence of the Hall coefficient toward the Mott limit and a sign reversal relative to Boltzmann equation's weak scattering prediction. The Hall current near the Mott phase is carried by a low density of spin-entangled vacancies, which should constitute the Cooper pairs in any superconducting phase at lower temperatures.
Strange or bad metallic transport, defined by incompatibility with the conventional quasiparticle picture, is a theme common to many strongly correlated materials, including high-temperature superconductors. The Hubbard model represents a minimal starting point for modeling strongly correlated systems. Here we demonstrate strange metallic transport in the doped two-dimensional Hubbard model using determinantal quantum Monte Carlo calculations. Over a wide range of doping, we observe resistivities exceeding the Mott-Ioffe-Regel limit with linear temperature dependence. The temperatures of our calculations extend to as low as 1/40 of the noninteracting bandwidth, placing our findings in the degenerate regime relevant to experimental observations of strange metallicity. Our results provide a foundation for connecting theories of strange metals to models of strongly correlated materials.
Strongly correlated metals often display anomalous transport, including T-linear resistivity above the Mott-Ioffe-Regel limit. We introduce a tractable microscopic model for bad metals, by restoring in the well-known Hubbard model-with hopping t and on-site repulsion U-a "screened Coulomb" interaction between charge densities that decays exponentially with spatial separation. This interaction lifts the extensive degeneracy in the spectrum of the t=0 Hubbard model, allowing us to fully characterize the small t electric, thermal, and thermoelectric transport in our strongly correlated model. Throughout the phase diagram we observe T-linear resistivity above the Mott-Ioffe-Regel limit, together with strong violation of the Wiedemann-Franz law and a large thermopower that can undergo sign change.
The celebrated Wiedemann-Franz (WF) law is believed to be robust in metals as long as interactions between electrons preserve their fermion-quasiparticle character. We study thermal transport and the fate of the WF law close to a continuous metal-insulator transition (MIT) in the Falicov-Kimball model (FKM) using cluster-dynamical mean-field theory (CDMFT). Surprisingly, as for electrical transport, we find robust and novel quantum critical scaling in thermal transport across the MIT. We unearth the deeper reasons for these novel findings in terms of (i) the specific structure of energy-current correlations for the FKM and (ii) the microscopic electronic processes which facilitate energy transport while simultaneously blocking charge transport close to the MIT. However, within (C)DMFT, we also find that the WF law survives at $T\ensuremath{\longrightarrow}0$ in the incoherent metal right up to the MIT, even in absence of Landau quasiparticles.
We use the Kotliar-Ruckenstein slave-boson formalism to study the temperature dependence of paramagnetic phases of the one-band Hubbard model for a variety of band structures. We calculate the Fermi liquid quasiparticle spectral weight ZZZ and identify the temperature at which it decreases significantly to a crossover to a bad metal region. Near the Mott metal-insulator transition, this coherence temperature Tcoh{T}_{\mathrm{coh}}Tcoh​ is much lower than the Fermi temperature of the uncorrelated Fermi gas, as is observed in a broad range of strongly correlated electron materials. After a proper rescaling of temperature and interaction, we find a universal behavior that is independent of the band structure of the system. We obtain the temperature-interaction phase diagram as function of doping, and we compare the temperature dependence of the double occupancy, entropy, and charge compressibility with previous results obtained with dynamical mean-field theory. We analyze the stability of the method by calculating the charge compressibility.