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arXiv:1609.07097 · Physical Review A

Nonlinear transport in an out-of-equilibrium single-site Bose-Hubbard model: Scaling, rectification, and time dynamics

Archak Purkayastha, Abhishek Dhar, Manas Kulkarni

Published Nov 28, 2016• 14 citations
arXivHTMLPDF

Abstract

Recent experiments in hybrid-quantum systems facilitate the potential realization of one of the most fundamental interacting Hamiltonian-reservoir systems, namely the single-site Bose-Hubbard model coupled to two reservoirs at different temperatures. Using Redfield equations in a Born-Markov approximation, we compute nonequilibrium average particle number, energy, and currents beyond linear response regime, both time dynamics and steady state, and investigate its dependence on various tunable parameters analytically. We find interesting scaling laws in high-temperature regimes that are independent of choice of bath spectral functions. We also demonstrate that the system shows very interesting particle and energy current rectification properties which can be controlled via the relative strength of interaction and temperatures, as well as via the degree of asymmetry in system-bath coupling. Specifically, we find inversion of direction of energy rectification as a function of the relative strength of the interaction strength and the temperatures. We also show that, in the limit of low-temperature and high interaction strength, our results are consistent with the nonequilibrium spin-Boson model. Our results are experimentally relevant not only to hybrid quantum systems but also in other areas such as molecular junctions.

DOI
10.1103/physreva.94.052134

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Recent experiments in hybrid-quantum systems facilitate the potential realization of one of the most fundamental interacting Hamiltonian-reservoir systems, namely the single-site Bose-Hubbard model coupled to two reservoirs at different temperatures. Using Redfield equations in a Born-Markov approximation, we compute nonequilibrium average particle number, energy, and currents beyond linear response regime, both time dynamics and steady state, and investigate its dependence on various tunable parameters analytically. We find interesting scaling laws in high-temperature regimes that are independent of choice of bath spectral functions. We also demonstrate that the system shows very interesting particle and energy current rectification properties which can be controlled via the relative strength of interaction and temperatures, as well as via the degree of asymmetry in system-bath coupling. Specifically, we find inversion of direction of energy rectification as a function of the relative strength of the interaction strength and the temperatures. We also show that, in the limit of low-temperature and high interaction strength, our results are consistent with the nonequilibrium spin-Boson model. Our results are experimentally relevant not only to hybrid quantum systems but also in other areas such as molecular junctions.
We present the Born-Markov approximated Redfield quantum master equation (RQME) description for an open system of noninteracting particles (bosons or fermions) on an arbitrary lattice of NNN sites in any dimension and weakly connected to multiple reservoirs at different temperatures and chemical potentials. The RQME can be reduced to the Lindblad equation, of various forms, by making further approximations. By studying the N=2N=2N=2 case, we show that RQME gives results which agree with exact analytical results for steady-state properties and with exact numerics for time-dependent properties over a wide range of parameters. In comparison, the Lindblad equations have a limited domain of validity in nonequilibrium. We conclude that it is indeed justified to use microscopically derived full RQME to go beyond the limitations of Lindblad equations in out-of-equilibrium systems. We also derive closed-form analytical results for out-of-equilibrium time dynamics of two-point correlation functions. These results explicitly show the approach to steady state and thermalization. These results are experimentally relevant for cold atoms, cavity QED, and far-from-equilibrium quantum dot experiments.
The real-time dynamics of the Fermi-Hubbard model, driven out of equilibrium by quenching or ramping the interaction parameter, is studied within the framework of the nonequilibrium self-energy functional theory. A dynamical impurity approximation with a single auxiliary bath site is considered as a reference system, and the time-dependent hybridization is optimized as prescribed by the variational principle. The dynamical two-site approximation turns out to be useful to study the real-time dynamics on short and intermediate time scales. Depending on the strength of the interaction in the final state, two qualitatively different response regimes are observed. For both weak and strong couplings, qualitative agreement with previous results of nonequilibrium dynamical mean-field theory is found. The two regimes are sharply separated by a critical point at which the low-energy bath degree of freedom decouples in the course of time. We trace the dependence of the critical interaction of the dynamical Mott transition on the duration of the interaction ramp from sudden quenches to adiabatic dynamics and therewith link the dynamical to the equilibrium Mott transition.
Experimental advances have made ultracold atoms in optical lattices a favourable setting to study out-of-equilibrium phenomena and attracted considerable attention in recent years.These systems are highly versatile in that experimental parameters can be tuned over a wide range of values in real time.This facilitates the study of quantum quenches, in which parameters in the corresponding Hamiltonian are varied in time faster than the system can respond adiabatically.Such protocols open the door to a rich range of many-body physics and have been studied intensely both theoretically and experimentally.The Bose-Hubbard model (BHM) has been shown to describe interacting ultracold bosons in an optical lattice, allowing the opportunity for experiments to probe the out-of-equilibrium dynamics of the model.The BHM is a particularly convenient context for studying quantum quenches as it displays a quantum phase transition between superfluid and Mott-insulator phases.In this thesis, we develop a strong-coupling approach that allows the study of correlations in space and time in both the superfluid and Mott-insulating phases of the BHM.Specifically, we obtain a two-particle irreducible (2PI) effective action within the contourtime formalism that allows for a description of both equilibrium and out-of-equilibrium phenomena.We derive equations of motion for both the superfluid order parameter and the single-particle many-body Green's functions.First, we assess the accuracy of our formalism by studying the equilibrium solution for the homogeneous BHM and comparing our results to existing strong-coupling methods as well as to exact methods where possible.We then consider homogeneous systems that are initially thermalized in the Mott phase, and which are then subjected to quenches.We solve numerically the equations of motion for this scenario and calculate the single-particle density matrix.We demonstrate a Lieb-Robinson-like maximal propagation velocity for the spreading of single-particle correlations in one, two, and three dimensions.We study the dependence of the maximal propagation velocity on the quench protocol, chemical potential, temperature, and dimensionality.We compare our results to exact methods, existing strong-coupling approaches, and experiments where possible.Lastly, we extend our strong-coupling approach to the disordered BHM and derive equations of motion for the disorder-averaged single-particle Green's function.We discuss how these equations of motion can be used to study the phase stability of many-body localization in the disordered BHM for dimensions higher than one.
We present improvements of a recently introduced numerical method [E. Arrigoni et al., Phys. Rev. Lett. 110, 086403 (2013)] to compute steady-state properties of strongly correlated electronic systems out of equilibrium. The method can be considered as a nonequilibrium generalization of exact diagonalization based dynamical mean-field theory (DMFT). The key modification for the nonequilibrium situation consists in addressing the DMFT impurity problem within an auxiliary system consisting of the correlated impurity, Nb{N}_{b}Nb​ uncorrelated bath sites, and two Markovian environments (sink and reservoir). Algorithmic improvements in the impurity solver allow to treat efficiently larger values of Nb{N}_{b}Nb​ than previously in DMFT. This increases the accuracy of the results and is crucial for a correct description of the physical behavior of the system in the relevant parameter range including a semiquantitative description of the Kondo regime. To illustrate the approach, we consider a monoatomic layer of correlated orbitals, described by the single-band Hubbard model, attached to two metallic leads. The nonequilibrium situation is driven by a bias voltage applied to the leads. For this system, we investigate the spectral function and the steady-state current-voltage characteristics in the weakly as well as in the strongly interacting limit. In particular, we investigate the nonequilibrium behavior of quasiparticle excitations within the Mott gap of the correlated layer. We find for low-bias voltage Kondo-type behavior in the vicinity of the insulating phase. In particular, we observe a splitting of the Kondo resonance as a function of the bias voltage.
This dissertation serves as a summary of my Ph.D. work numerically studying equilibrium and non-equilibrium properties of strongly-interacting one-dimensional (1D) boson systems. This work is motivated by the fact that 1D systems are realizable and highly controllable with ultracold atoms in optical lattice and atom chip experiments. We apply a recent worm algorithmic Monte Carlo approach developed for 1D continuous systems to study their equilibrium properties, both with and without an underlying lattice. We also apply an exact lattice approach based on the Bose-Fermi mapping to check our Monte Carlo results in the Tonks-Girardeau limit, and more importantly, to study far-from-equilibrium expansion dynamics of the systems. We first study the scaling of one-particle correlations of the harmonically trapped Lieb-Liniger gas with changing temperature and interaction strength. Based on the universal behaviors of the density and momentum profiles, we are able to determine the effective parameters needed to fully characterize the system. We also find that the Tonks-Girardeau limit at low temperatures is the ideal regime for the experimental observation of the 1/k41/k^41/k4 momentum tail. An extra periodic lattice can drive the transition from superfluid to Mott insulator states. Exact and complete phase diagrams for such transitions are available only in the weak interacting and deep lattice limit, in which the system can be described using one-band Bose-Hubbard model. Beyond this limit, we use the worm algorithm in continuous space to map out the phase diagrams at various interaction strengths. We compare our phase diagrams with one-band Bose-Hubbard predictions and identify the regime where the one-band description breaks down. We introduce an inverse confined scattering solution to obtain effective Hubbard parameters, with which the Bose-Hubbard model provides correct results for strong interactions and deep lattices at unit filling. In addition to the equilibrium properties, we also study the expansion dynamics of ultracold atoms in the hard-core limit. Experimentally, this is usually achieved by turning off confining potentials and letting atoms expand in optical lattices. Theoretical studies from initial ground states predicted the occurrence of fermionization of the momentum distribution after long expansion times. In addition, quasicondensation at finite momenta emerges when expanding from Mott insulating domains. Here, we develop a finite-temperature extension of the lattice approach for dynamics. We find the dynamical ferminoization of the momentum distributions at all temperatures. For expansion from initial Mott domains, we observe enhanced correlations reminiscent of dynamical quasicondensation. Surprisingly, we find the systems appear to cool down during the melting of the Mott domains. We use an emergent local Hamiltonian to understand these emergent phenomena.
We study the interpolation from occupation number Fock states to Schr\"odinger cat states on systems modeled by a two-mode Bose-Hubbard Hamiltonian, like, for instance, bosons in a double well or superconducting Cooper pair boxes. In the repulsive interaction regime, by a simplified single particle description, we calculate analytically energy, number fluctuations, stability under coupling to a heat bath, entanglement entropy, and Fisher information, all in terms of hypergeometric polynomials of the single particle overlap parameter. Our approach allows us to find how those quantities scale with the number of bosons. In the attractive interaction regime we calculate the same physical quantities in terms of the imbalance parameter, and find that the spontaneous symmetry breaking, occurring at interaction Uc{U}_{c}Uc​, predicted by a semiclassical approximation, is valid only in the limit of infinite number of bosons. For a large but finite number we determine a characteristic strength of interaction Uc∗{U}_{c}^{*}Uc∗​, which can be promoted as the crossover point from coherent to incoherent regimes and can be identified as the threshold of fragility of the cat state. Moreover, we find that the Fisher information is always in direct ratio to the variance of on-site number of bosons, for both positive and negative interactions. We finally show that the entanglement entropy is maximum close to Uc∗{U}_{c}^{*}Uc∗​ and exceeds its coherent value within the whole range of interaction between 2Uc2{U}_{c}2Uc​ and zero.