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arXiv:cond-mat/9208002 · Europhysics Letters (EPL)

Transport Properties of the Infinite-Dimensional Hubbard Model

Thomas Pruschke, Daniel Lee Cox, Mark Jarrell

Published Feb 10, 1993• 60 citations
arXivHTMLPDF

Abstract

Results for the optical conductivity and resistivity of the Hubbard model in infinite spatial dimensions are presented. At half-filling we observe a gradual crossover from a metal with a Drude peak at ω = 0 in the optical conductivity to an insulator as a function of U for temperatures above the antiferromagnetic phase transition. When doped, the "insulator" becomes a Fermi liquid with a corresponding temperature dependence of the optical conductivity and resistivity. We find a T 2 -coefficient in the low-temperature resistivity which suggests that the carriers in the system acquire a considerable mass-enhancement due to the strong local correlations. At high temperatures, a crossover into a semi-metallic regime takes place.

DOI
10.1209/0295-5075/21/5/015

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Results for the optical conductivity and resistivity of the Hubbard model in infinite spatial dimensions are presented. At half-filling we observe a gradual crossover from a metal with a Drude peak at ω = 0 in the optical conductivity to an insulator as a function of U for temperatures above the antiferromagnetic phase transition. When doped, the "insulator" becomes a Fermi liquid with a corresponding temperature dependence of the optical conductivity and resistivity. We find a T 2 -coefficient in the low-temperature resistivity which suggests that the carriers in the system acquire a considerable mass-enhancement due to the strong local correlations. At high temperatures, a crossover into a semi-metallic regime takes place.
Quantum simulations are quickly becoming an indispensable tool for studying particle transport in correlated lattice models. One of the central topics in the study of transport is bad-metal behavior, characterized by the direct-current resistivity linear in temperature. In the fermionic Hubbard model, optical conductivity has been studied extensively, and a recent optical lattice experiment demonstrated bad-metal behavior in qualitative agreement with theory. Far less is known about transport in the bosonic Hubbard model. We investigate the conductivity in the Bose-Hubbard model and focus on the regime of strong interactions and high temperatures. We use numerically exact calculations for small lattice sizes. At weak tunneling, we find multiple peaks in the optical conductivity that stem from the Hubbard bands present in the many-body spectrum. This feature slowly washes out as the tunneling rate gets stronger. At high temperature, we identify a regime of TTT-linear resistivity, as expected. When the interactions are very strong, the leading inverse-temperature coefficient in conductivity is proportional to the tunneling amplitude. As the tunneling becomes stronger, this dependence takes quadratic form. At very strong coupling and half filling, we identify a separate linear resistivity regime at lower temperature, corresponding to the hard-core boson regime. Additionally, we unexpectedly observe that at half filling, in a big part of the phase diagram, conductivity is an increasing function of the coupling constant before it saturates at the hard-core-boson result. We explain this feature based on the analysis of the many-body energy spectrum and the contributions to conductivity of individual eigenstates of the system.
A Monte Carlo maximum-entropy calculation of the optical conductivity of the infinite-dimensional Hubbard model is presented. We show that the optical conductivity displays the anomalies found in the cuprate superconductors, including a Drude width which grows linearly with temperature, a Drude weight which grows linearly with doping, and a temperature and doping-dependent mid-IR peak. These anomalies arise as a consequence of the dynamical generation of a quasiparticle band at the Fermi energy as T\ensuremath{\rightarrow}0, and are a generic property of the strongly correlated Hubbard model in all dimensions greater than one.
The optical conductivity, \ensuremath{\sigma}(\ensuremath{\omega}), of the two-dimensional one-band Hubbard model is calculated at finite temperature using exact diagonalization techniques on finite clusters. The in-plane dc resistivity, ${\mathrm{\ensuremath{\rho}}}_{\mathit{a}\mathit{b}}$, is also evalauted. We find that at large U/t and temperature T, ${\mathrm{\ensuremath{\rho}}}_{\mathit{a}\mathit{b}}$ is approximately linear with temperature. We also observed that \ensuremath{\sigma}(\ensuremath{\omega}) displays charge excitations, a midinfrared (MIR) band, and a Drude peak. The combination of the Drude peak and the MIR oscillator strengths leads to a conductivity that decays slower than 1/${\mathrm{\ensuremath{\omega}}}^{2}$ at energies smaller than the insulator gap near half filling.
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.
Using two approaches to strongly correlated systems, the extremely correlated Fermi liquid theory and the dynamical mean field theory, we compute the transverse transport coefficients, namely, the Hall constants RH{R}_{H}RH​ and Hall angles ${\ensuremath{\theta}}_{H}$, and the longitudinal and transverse optical response of the $U=\ensuremath{\infty}$ Hubbard model in the limit of infinite dimensions. We focus on two successive low-temperature regimes, the Gutzwiller-correlated Fermi liquid (GCFL) and the Gutzwiller-correlated strange metal (GCSM). We find that the Hall angle $cot{\ensuremath{\theta}}_{H}$ is proportional to T2{T}^{2}T2 in the GCFL regime, while upon warming into the GCSM regime it first passes through a downward bend and then continues as T2{T}^{2}T2. Equivalently, RH{R}_{H}RH​ is weakly temperature dependent in the GCFL regime, but becomes strongly temperature dependent in the GCSM regime. Drude peaks are found for both the longitudinal optical conductivity ${\ensuremath{\sigma}}_{xx}(\ensuremath{\omega})$ and the optical Hall angles $tan{\ensuremath{\theta}}_{H}(\ensuremath{\omega})$ below certain characteristic energy scales. By comparing the relaxation rates extracted from fitting to the Drude formula, we find that in the GCFL regime there is a single relaxation rate controlling both longitudinal and transverse transport, while in the GCSM regime two different relaxation rates emerge. We trace the origin of this behavior to the dynamical particle-hole asymmetry of the Dyson self-energy, arguably a generic feature of doped Mott insulators.