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arXiv:1910.04130 · Physical review. B./Physical review. B

Relaxation dynamics in a Hubbard dimer coupled to fermionic baths: Phenomenological description and its microscopic foundation

Eric Kleinherbers, Nikodem Szpak, Jürgen König, Ralf Schützhold

Published Mar 27, 2020• 37 citations
arXivHTMLPDF

Abstract

We study relaxation dynamics in a strongly interacting two-site Fermi-Hubbard model that is induced by coupling each site to a local fermionic bath. To derive the proper form of the Lindblad operators that enter an effective description of the system-bath coupling in different temperature regimes, we employ a diagrammatic real-time technique for the time evolution of the reduced density matrix. In spite of a local coupling to the baths, the found Lindblad operators are nonlocal in space. We compare with the local approximation, where those nonlocal effects are neglected. Furthermore, we propose an improvement on the commonly used secular approximation (rotating-wave approximation), referred to as coherent approximation, which turns out superior in all studied parameter regimes (and equivalent otherwise). We look at the relaxation dynamics for several important observables and compare the methods for early and late times in various temperature regimes.

DOI
10.1103/physrevb.101.125131

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We study relaxation dynamics in a strongly interacting two-site Fermi-Hubbard model that is induced by coupling each site to a local fermionic bath. To derive the proper form of the Lindblad operators that enter an effective description of the system-bath coupling in different temperature regimes, we employ a diagrammatic real-time technique for the time evolution of the reduced density matrix. In spite of a local coupling to the baths, the found Lindblad operators are nonlocal in space. We compare with the local approximation, where those nonlocal effects are neglected. Furthermore, we propose an improvement on the commonly used secular approximation (rotating-wave approximation), referred to as coherent approximation, which turns out superior in all studied parameter regimes (and equivalent otherwise). We look at the relaxation dynamics for several important observables and compare the methods for early and late times in various temperature regimes.
We consider a ring of fermionic quantum sites, modeled by the Fermi-Hubbard Hamiltonian, in which electrons can move and interact strongly via the Coulomb repulsion. The system is coupled to fermionic cold baths, which by the exchange of particles and energy induce relaxation in the system. We eliminate the environment and describe the system effectively by Lindblad master equations in various versions valid for different coupling parameter regimes. The early relaxation phase proceeds in a universal way, irrespective of the relative couplings and approximations. The system settles down to its low-energy sector and is consecutively well approximated by the Heisenberg model. We compare different Lindblad approaches, which, in the late relaxation, push the system towards different final states with opposite, extreme spin orders, from ferromagenetic to antiferromagnetic. Due to spin frustration in the trimer (a three site ring), degenerate ground states are formed by spin waves (magnons). The system described by the global coherent version of the Lindblad operators relaxes towards the final states carrying directed persistent spin currents. We numerically confirm these predictions.
We study thermalization in a one-dimensional quantum system consisting of a noninteracting fermionic chain with each site of the chain coupled to an additional bath site. Using a density matrix renormalization group algorithm we investigate the time evolution of the observables in the chain after a quantum quench. For low densities we show that the intermediate time dynamics can be quantitatively described by a system of coupled equations of motion. For higher densities our numerical results show a prethermalization for the local observables at intermediate times and a full thermalization to the grand canonical ensemble at long times. For the case of a weak bath-chain coupling we find, in particular, a Fermi momentum distribution in the chain in equilibrium in spite of the seemingly oversimplified bath in our model.
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.
Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the analytical insight provided by theoretical approaches. In this study, we employ the recently developed method dubbed the effective Hamiltonian theory to understand the dynamics of system-bath configurations without resorting to a perturbative description of the system-bath coupling energy. Through a combination of mapping steps and truncation, the effective Hamiltonian theory offers both analytical insights into signatures of strong couplings in open quantum systems and a straightforward path for numerical simulations. To validate the accuracy of the method, we apply it to two canonical models: a single spin immersed in a bosonic bath and two noninteracting spins in a common bath. In both cases, we study the transient regime and the steady state limit at nonzero temperature and spanning system-bath interactions from the weak to the strong regime. By comparing the results of the effective Hamiltonian theory with numerically exact simulations, we show that although the former overlooks non-Markovian features in the transient equilibration dynamics, it correctly captures non-perturbative bath-generated couplings between otherwise non-interacting spins, as observed in their synchronization dynamics and correlations. Altogether, the effective Hamiltonian theory offers a powerful approach for understanding strong coupling dynamics and thermodynamics, capturing the signatures of such interactions in both relaxation dynamics and in the steady state limit.
We study the dissipative Fermi-Hubbard model in the limit of weak tunneling and strong repulsive interactions, where each lattice site is tunnel-coupled to a Markovian fermionic bath. For cold baths at intermediate chemical potentials, the Mott insulator property remains stable and we find a fast relaxation of the particle number towards half filling. On longer time scales, we find that the antiferromagnetic order of the Mott-N\'eel ground state on bipartite lattices decays, even at zero temperature. For zero and nonzero temperatures, we quantify the different relaxation time scales by means of waiting time distributions, which can be derived from an effective (non-Hermitian) Hamiltonian and obtain fully analytic expressions for the Fermi-Hubbard model on a tetramer ring.
We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It demontrates that most of the mode mixing during relaxation is due to the potential part of the Hamiltonian and not to the coupling among relaxation operators.