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arXiv:1806.11050 · Physical review. B./Physical review. B

Nonequilibrium steady-state Kubo formula: Equality of transport coefficients

Marko Žnidarič

Published Jan 22, 2019• 28 citations
arXivHTMLPDF

Abstract

We address the question of whether transport coefficients obtained from a unitary closed system setting, i.e., the standard equilibrium Green-Kubo formula, are the same as the ones obtained from a weakly driven nonequilibrium steady-state calculation. We first derive a nonequilibrium Kubo-like expression for the steady-state diffusion constant expressed as a time integral of either a current or a conserved density nonequilibrium correlation function. This expression has certain advantages over the equilibrium Green-Kubo formula, but it is not clear if it gives the same value of the diffusion constant. We then rigorously show that if the unitary dynamics is diffusive, the nonequilibrium formula indeed gives exactly the same transport coefficient. The form of finite-size correction is also predicted. Theoretical results are verified by an explicit calculation of the diffusion constant in several interacting many-body models.

DOI
10.1103/physrevb.99.035143

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We address the question of whether transport coefficients obtained from a unitary closed system setting, i.e., the standard equilibrium Green-Kubo formula, are the same as the ones obtained from a weakly driven nonequilibrium steady-state calculation. We first derive a nonequilibrium Kubo-like expression for the steady-state diffusion constant expressed as a time integral of either a current or a conserved density nonequilibrium correlation function. This expression has certain advantages over the equilibrium Green-Kubo formula, but it is not clear if it gives the same value of the diffusion constant. We then rigorously show that if the unitary dynamics is diffusive, the nonequilibrium formula indeed gives exactly the same transport coefficient. The form of finite-size correction is also predicted. Theoretical results are verified by an explicit calculation of the diffusion constant in several interacting many-body models.
We derive a Kubo-type formula that describes proper non-equilibrium stationary states for finite-size systems. We first argue that the usual Kubo formula considers only equilibrium states of the perturbed system, which are inappropriate to describe transport properties. Moreover, we show that the standard Kubo formula for the dc conductance is only appropriate in the thermodynamic limit. We demonstrate that taking into consideration explicitly the coupling to the leads/baths solves both problems. This approach results in well-behaved response functions, without the singular contributions from degenerate states encountered when Kubo formulae for infinite-size systems are inappropriately used for finite-size systems. We also derive a second, more efficient formulation which is valid only for a set of special physical quantities, which includes the charge current density operator.
We derive Kubo formulae for first-order spin hydrodynamics based on nonequilibrium statistical operators method. In first-order spin hydrodynamics, there are two new transport coefficients besides the ordinary ones appearing in first-order viscous hydrodynamics. They emerge due to the incorporation of the spin degree of freedom into fluids and the spin-orbital coupling. Zubarev's nonequilibrium statistical operator method can be well applied to investigate these quantum effects in fluids. The Kubo formulae, based on the method of nonequilibrium statistical operators, are related to equilibrium (imaginary-time) infrared Green's functions, and all the transport coefficients can be determined when the microscopic theory is specified.
Under certain conditions, we prove the existence of a steady-state transport regime for interacting mesoscopic systems coupled to reservoirs (leads). The partitioning and partition-free scenarios are treated on an equal footing. Our time-dependent scattering approach is exact and proves, among other things, the independence of the steady-state quantities from the initial state of the sample. Closed formulas for the steady-state current amenable for perturbative calculations with regard to the interaction strength are also derived. In the partitioning case, we calculate the first-order correction and recover the mean-field (Hartree-Fock) results.
In the hydrodynamic theory, the nonequilibrium dynamics of a many-body system is approximated, at large scales of space and time, by irreversible relaxation to local entropy maximization. This results in a convective equation corrected by viscous or diffusive terms in a gradient expansion, such as the Navier-Stokes equations. Diffusive terms are evaluated using the Kubo formula, and possibly arising from an emergent noise due to discarded microscopic degrees of freedom. In one dimension of space, diffusive scaling is often broken as noise leads to superdiffusion. But in linearly degenerate hydrodynamics, such as that of integrable models, diffusive behaviors are observed, and it has long been thought that the standard diffusive picture remains valid. In this Letter, we show that in such systems, the Navier-Stokes equation breaks down beyond linear response. We demonstrate that diffusive-order corrections do not take the form of a gradient expansion. Instead, they are completely determined by ballistic transport of initial-state fluctuations, and obtained from the nonlocal two-point correlations recently predicted by the ballistic macroscopic fluctuation theory; the resulting hydrodynamic equations are reversible. To do so, we establish a regularized fluctuation theory, putting on a firm basis the recent idea that ballistic transport of initial-state fluctuations determines fluctuations and correlations beyond the Euler scale. This extends the idea of "diffusion from convection" previously developed to explain the Kubo formula in integrable systems to generic nonequilibrium settings.
We study the nonequilibrium steady state (NESS) in a quantum system in contact with two heat baths at different temperatures. We use a time-independent perturbative expansion with respect to the coupling with the two heat baths to obtain the density matrix for the NESS. In particular, we show an explicit representation of the density matrix for the reflection symmetric and weakly nonequilibrium case. We also calculate the expectation value of the energy current and show that the Kubo formula holds in this case.