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arXiv:1912.00281 · Physical review. B./Physical review. B

Many-body wavefunctions for quantum impurities out of equilibrium. I. The nonequilibrium Kondo model

Adrian B. Culver, Natan Andrei

Published May 4, 2021• 5 citations
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Abstract

We present here the details of a method [A. B. Culver and N. Andrei, Many-body wavefunctions for quantum impurities out of equilibrium, Phys. Rev. B 103, L201103 (2021)] for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at $t=0$. The method, which does not use Bethe ansatz, also works in other quantum impurity models and may be of wider applicability. We show that the long-time limit (with the system size taken to infinity first) of the time-evolving wavefunction of the Kondo model is a current-carrying nonequilibrium steady state that satisfies the Lippmann-Schwinger equation. We show that the electric current in the time-evolving wavefunction is given by a series expression that can be expanded either in weak coupling or in strong coupling, converging to all orders in the steady-state limit in either case. The series agrees to leading order with known results in the well-studied regime of weak antiferromagnetic coupling and also reveals a universal regime of strong ferromagnetic coupling with Kondo temperature ${T}_{K}^{(F)}=D{e}^{\ensuremath{-}\frac{3{\ensuremath{\pi}}^{2}}{8}\ensuremath{\rho}|J|}$ ($J<0, \ensuremath{\rho}|J|\ensuremath{\rightarrow}\ensuremath{\infty}$). In this regime, the differential conductance $dI/dV$ reaches the unitarity limit $2{e}^{2}/h$ asymptotically at large voltage or temperature.

DOI
10.1103/physrevb.103.195106

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We present here the details of a method [A. B. Culver and N. Andrei, Many-body wavefunctions for quantum impurities out of equilibrium, Phys. Rev. B 103, L201103 (2021)] for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at t=0t=0t=0. The method, which does not use Bethe ansatz, also works in other quantum impurity models and may be of wider applicability. We show that the long-time limit (with the system size taken to infinity first) of the time-evolving wavefunction of the Kondo model is a current-carrying nonequilibrium steady state that satisfies the Lippmann-Schwinger equation. We show that the electric current in the time-evolving wavefunction is given by a series expression that can be expanded either in weak coupling or in strong coupling, converging to all orders in the steady-state limit in either case. The series agrees to leading order with known results in the well-studied regime of weak antiferromagnetic coupling and also reveals a universal regime of strong ferromagnetic coupling with Kondo temperature TK(F)=De\ensuremath−3\ensuremathπ28\ensuremathρ∣J∣{T}_{K}^{(F)}=D{e}^{\ensuremath{-}\frac{3{\ensuremath{\pi}}^{2}}{8}\ensuremath{\rho}|J|}TK(F)​=De\ensuremath−83\ensuremathπ2​\ensuremathρ∣J∣ (J<0,\ensuremathρ∣J∣\ensuremath→\ensuremath∞J<0, \ensuremath{\rho}|J|\ensuremath{\rightarrow}\ensuremath{\infty}J<0,\ensuremathρ∣J∣\ensuremath→\ensuremath∞). In this regime, the differential conductance dI/dVdI/dVdI/dV reaches the unitarity limit 2e2/h2{e}^{2}/h2e2/h asymptotically at large voltage or temperature.
We present a method for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at t=0t=0t=0. The method, which does not use Bethe ansatz, also works in other quantum impurity models (we include results for the interacting resonant level and the Anderson impurity model) and may be of wider applicability. In the particular case of the Kondo model, we show that the long-time limit (with the system size taken to infinity first) of the time-evolving wavefunction is a current-carrying nonequilibrium steady state that satisfies the Lippmann-Schwinger equation. We show that the electric current in the time-evolving wavefunction is given by a series expression that can be expanded either in weak coupling or in strong coupling, converging to all orders in the steady-state limit in either case. The series agrees to leading order with known results in the well-studied regime of weak antiferromagnetic coupling and also reveals another universal regime of strong ferromagnetic coupling, with Kondo temperature ${T}_{K}^{(F)}=D{e}^{\ensuremath{-}\frac{3{\ensuremath{\pi}}^{2}}{8}\ensuremath{\rho}|J|}$ ($J<0, \ensuremath{\rho}|J|\ensuremath{\rightarrow}\ensuremath{\infty}$). In this regime, the differential conductance dI/dVdI/dVdI/dV reaches the unitarity limit 2e2/h2{e}^{2}/h2e2/h asymptotically at large voltage or temperature.
In the previous paper, we found a series expression for the average electric current following a quench in the nonequilibrium Kondo model driven by a bias voltage. Here, we evaluate the steady state current in the regimes of strong and weak coupling. We obtain the standard leading order results in the usual weak antiferromagnetic regime, and we also find a new universal regime of strong ferromagnetic coupling with Kondo temperature TK=De3π28ρJT_K = D e^{\frac{3π^2}{8} ρJ}TK​=De83π2​ρJ. In this regime, the differential conductance dI/dVdI/dVdI/dV reaches the unitarity limit 2e2/h2e^2/h2e2/h asymptotically at large voltage or temperature.
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.
A detailed derivation of the recently proposed time-dependent numerical renormalization-group (TD-NRG) approach to nonequilibrium dynamics in quantum-impurity systems is presented. We demonstrate that the method is suitable for fermionic as well as bosonic baths. Comparisons with exact analytical results for the charge relaxation in the resonant-level model and for dephasing in the spin-boson model establish the accuracy of the method. The real-time dynamics of a single spin coupled to each type of bath is investigated. We use the TD-NRG to calculate the spin relaxation and spin precession of a single Kondo impurity. The short- and long-time dynamics are studied as a function of temperature in the ferromagnetic and antiferromagnetic regimes. The short-time dynamics agrees very well with analytical results obtained at second order in the exchange coupling JJJ. In the ferromagnetic regime, the transient spin decay is described by the scaling variable $x=2{\ensuremath{\rho}}_{F}\ensuremath{\mid}J(T)\ensuremath{\mid}Tt$. In the antiferromagnetic regime, the long-time decay is governed for T<TKT<{T}_{K}T<TK​ by the Kondo time scale 1∕TK1∕{T}_{K}1∕TK​. Here ${\ensuremath{\rho}}_{F}$ is the conduction-electron density of states, TK{T}_{K}TK​ is the Kondo temperature, and J(T)J(T)J(T) is the effective exchange coupling at temperature TTT. Results for spin precession are obtained by rotating the external magnetic field from the xxx axis to the zzz axis.
The equilibrium physics of quantum impurities frequently involves a universal crossover from weak to strong reservoir-impurity coupling, characterized by single-parameter scaling and an energy scale TK{T}_{K}TK​ (Kondo temperature) that breaks scale invariance. For the noninteracting resonant level model, the nonequilibrium time evolution of the Loschmidt echo after a local quantum quench was recently computed explicitly [R. Vasseur, K. Trinh, S. Haas, and H. Saleur, Phys. Rev. Lett. 110, 240601 (2013)]. It shows single-parameter scaling with variable TKt{T}_{K}tTK​t. Here, we scrutinize whether similar universal dynamics can be observed in various interacting quantum impurity systems. Using density matrix and functional renormalization group approaches, we analyze the time evolution resulting from abruptly coupling two noninteracting Fermi or interacting Luttinger liquid leads via a quantum dot or a direct link. We also consider the case of a single Luttinger liquid lead suddenly coupled to a quantum dot. We investigate whether the field-theory predictions for the universal scaling as well as for the large-time behavior successfully describe the time evolution of the Loschmidt echo and the entanglement entropy of microscopic models. Our study shows that for the considered local quench protocols the above quantum impurity models fall into a class of problems for which the nonequilibrium dynamics can largely be understood based on the knowledge of the corresponding equilibrium physics.
We analyze the nonequilibrium Kondo model at finite voltage and temperature by using a new formulation of the real-time renormalization group method with the Laplace variable as the flow parameter. We evaluate the energy-dependent spin relaxation rate and nonlinear conductance, and derive an approximate form for the universal line shape for the latter in the whole crossover regime from weak to strong coupling. The results are shown to agree well with exact methods in equilibrium, Fermi-liquid theory, weak-coupling expansions, and recent experiments. For the transient spin dynamics we find a universal exponential decay in the long-time limit along with a truncation-dependent pre-exponential power law. For multichannel models a pure power-law decay typical for non-Fermi-liquid behavior is predicted.