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arXiv:1611.00573 · New Journal of Physics

Hubbard-to-Heisenberg crossover (and efficient computation) of Drude weights at low temperatures

Christoph Karrasch

Published Feb 27, 2017• 29 citations
arXivHTMLPDF

Abstract

We illustrate how finite-temperature charge and thermal Drude weights of one-dimensional systems can be obtained from the relaxation of initial states featuring global (left–right) gradients in the chemical potential or temperature. The approach is tested for spinless interacting fermions as well as for the Fermi-Hubbard model, and the behavior in the vicinity of special points (such as half filling or isotropic chains) is discussed. We present technical details on how to implement the calculation in practice using the density matrix renormalization group and show that the non-equilibrium dynamics is often less demanding to simulate numerically and features simpler finite-time transients than the corresponding linear response current correlators; thus, new parameter regimes can become accessible. As an application, we determine the thermal Drude weight of the Hubbard model for temperatures T which are an order of magnitude smaller than those reached in the equilibrium approach. This allows us to demonstrate that at low T and half filling, thermal transport is successively governed by spin excitations and described quantitatively by the Bethe ansatz Drude weight of the Heisenberg chain.

DOI
10.1088/1367-2630/aa631a

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We illustrate how finite-temperature charge and thermal Drude weights of one-dimensional systems can be obtained from the relaxation of initial states featuring global (left–right) gradients in the chemical potential or temperature. The approach is tested for spinless interacting fermions as well as for the Fermi-Hubbard model, and the behavior in the vicinity of special points (such as half filling or isotropic chains) is discussed. We present technical details on how to implement the calculation in practice using the density matrix renormalization group and show that the non-equilibrium dynamics is often less demanding to simulate numerically and features simpler finite-time transients than the corresponding linear response current correlators; thus, new parameter regimes can become accessible. As an application, we determine the thermal Drude weight of the Hubbard model for temperatures T which are an order of magnitude smaller than those reached in the equilibrium approach. This allows us to demonstrate that at low T and half filling, thermal transport is successively governed by spin excitations and described quantitatively by the Bethe ansatz Drude weight of the Heisenberg chain.
The Drude weight for the one-dimensional Hubbard model is investigated at finite temperatures by using the Bethe ansatz solution. Evaluating finite-size corrections to the thermodynamic Bethe ansatz equations, we obtain the formula for the Drude weight as the response of the system to an external gauge potential. We perform low-temperature expansions of the Drude weight in the case of half-filling as well as away from half-filling, which clearly distinguish the Mott-insulating state from the metallic state.
We study finite-temperature transport properties of the one-dimensional Hubbard model using the density matrix renormalization group. Our aim is twofold: First, we compute both the charge- and the spin-current correlation function of the integrable model at half filling. The former decays rapidly, implying that the corresponding Drude weight is either zero or very small. Second, we calculate the optical charge conductivity ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ in the presence of small integrability-breaking next-nearest-neighbor interactions (the extended Hubbard model). The dc conductivity is finite and diverges as the temperature is decreased below the gap. Our results thus suggest that the half-filled, gapped Hubbard model is a normal charge conductor at finite temperatures. As a test bed for our numerics, we compute ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ for the integrable XXZ spin chain in its gapped phase.
We propose an easily implemented approach to study time-dependent correlation functions of one-dimensional systems at finite-temperature T using the density matrix renormalization group. The entanglement growth inherent to any time-dependent calculation is significantly reduced if the auxiliary degrees of freedom which purify the statistical operator are time evolved with the physical Hamiltonian but reversed time. We exploit this to investigate the long-time behavior of current correlation functions of the XXZ spin-1/2 Heisenberg chain. This allows a direct extraction of the Drude weight D at intermediate to large T. We find that D is nonzero--and thus transport is dissipationless--everywhere in the gapless phase. At low temperatures we establish an upper bound to D by comparing with bosonization.
We study the real-time dynamics of spin chains driven out of thermal equilibrium by an initial temperature gradient ${T}_{L}\ensuremath{\ne}{T}_{R}$ using density matrix renormalization group methods. We demonstrate that the nonequilibrium energy current saturates fast to a finite value if the linear-response thermal conductivity is infinite, i.e., if the Drude weight DDD is nonzero. Our data suggest that a nonintegrable dimerized chain might support such dissipationless transport (D>0D>0D>0). We show that the steady-state value JE{J}_{E}JE​ of the current for arbitrary ${T}_{L}\ensuremath{\ne}{T}_{R}$ is of the functional form ${J}_{E}=f({T}_{L})\ensuremath{-}f({T}_{R})$, i.e., it is completely determined by the linear conductance. We argue for this functional form, which is essentially a Stefan-Boltzmann law in this integrable model; for the XXX ferromagnet, fff can be computed via the thermodynamic Bethe ansatz in good agreement with the numerics. Inhomogeneous systems exhibiting different bulk parameters as well as Luttinger liquid boundary physics induced by single impurities are discussed briefly.
We calculate the charge and spin Drude weight of the one-dimensional extended Hubbard model with on-site repulsion UUU and nearest-neighbor repulsion VVV at quarter filling using the density-matrix renormalization-group method combined with a variational principle. Our numerical results for the Hubbard model (V=0)(V=0)(V=0) agree with exact results obtained from the Bethe ansatz solution. We obtain the contour map for both Drude weights in the UVUVUV-parameter space for repulsive interactions. We find that the charge Drude weight is discontinuous across the Kosterlitz-Thouless transition between the Luttinger liquid and the charge-density-wave insulator, while the spin Drude weight varies smoothly and remains finite in both phases. Our results can be generally understood using bosonization and renormalization-group results. The finite-size scaling of the charge Drude weight is well fitted by a polynomial function of the inverse system size in the metallic region. In the insulating region, we find an exponential decay of the finite-size corrections with the system size and a universal relation between the charge gap ${\ensuremath{\Delta}}_{c}$ and the correlation length $\ensuremath{\xi}$ which controls this exponential decay.
Understanding charge transport in strongly correlated systems remains a central challenge in condensed matter physics, while exact analytical results for finite-temperature transport remain rare. Here, we investigate charge transport in the one-dimensional Hubbard model in the infinite-interaction limit. We first construct the exact and explicit, i.e., beyond Bethe ansatz energy spectrum and eigenstates. Building on these explicit eigenstates, we derive a closed-form analytical expression for the charge Drude weight at arbitrary temperatures in the hole-dilute limit with a fixed number of doped holes, as well as analytical expressions in the low- and high-temperature limits at fixed hole density. We further show that, at low temperatures, the leading correction to the charge Drude weight is linear in T when the number of holes is fixed, whereas it is quadratic in T when the hole density is fixed. This analytically controlled example highlights the importance of identifying the underlying thermodynamic trajectory when interpreting finite-size numerical studies of charge transport in more general models.