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arXiv:cond-mat/0604517 · Physical Review B

Spin precession and real-time dynamics in the Kondo model: Time-dependent numerical renormalization-group study

Frithjof B. Anders, Avraham Schiller

Published Dec 18, 2006• 250 citations
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Abstract

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 $J$. 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 $T<{T}_{K}$ by the Kondo time scale $1∕{T}_{K}$. Here ${\ensuremath{\rho}}_{F}$ is the conduction-electron density of states, ${T}_{K}$ is the Kondo temperature, and $J(T)$ is the effective exchange coupling at temperature $T$. Results for spin precession are obtained by rotating the external magnetic field from the $x$ axis to the $z$ axis.

DOI
10.1103/physrevb.74.245113

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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\ensuremathρF\ensuremath∣J(T)\ensuremath∣Ttx=2{\ensuremath{\rho}}_{F}\ensuremath{\mid}J(T)\ensuremath{\mid}Ttx=2\ensuremathρF​\ensuremath∣J(T)\ensuremath∣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 \ensuremathρF{\ensuremath{\rho}}_{F}\ensuremathρF​ 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.
Motivated by recent experiments on molecular quantum dots we investigate the relaxation of pure spin states when coupled to metallic leads. Under suitable conditions these systems are well described by a ferromagnetic Kondo model. Using two recently developed theoretical approaches, the time-dependent numerical renormalization group and an extended flow equation method, we calculate the real-time evolution of a Kondo spin into its partially screened steady state. We obtain exact analytical results which agree well with numerical implementations of both methods. Analytical expressions for the steady state magnetization and the dependence of the long-time relaxation on microscopic parameters are established. We find the long-time relaxation process to be much faster in the regime of anisotropic Kondo couplings. The steady state magnetization is found to deviate significantly from its thermal equilibrium value.
Using the non-perturbative numerical renormalisation group (NRG) we analyse purely fermionic as well as more complex Bose-Fermi quantum impurity systems on their equilibrium properties and beyond: We present an extensive exploration of real-time dynamics for various quenches using the time-dependent NRG. For the purely fermionic system, we use the Single-impurity Anderson model (SIAM) in which the impurity is a localised orbital hybridising with a surrounding conduction band. The model enables charge scattering with a pseudo-gap scattering rate and features a quantum critical point separating the local moment (LM) phase with an unscreened spin moment from a symmetric strong coupling (SSC) phase with a fractionally screened spin moment. The real-time dynamics of the local double occupancy nicely thermalises for quenches regarding the SSC phase. Whereas for quenches within or into the LM phase the double occupancy systematically deviates from thermal equilibrium for long times. A comparison with results of a recently published time-dependent Gutwiller approach reveals clear discrepancies since this approach restricts the formation of the local moment only on the impurity site. We extend the system by an additional bosonic bath leading to the Bose-Fermi Anderson model (BFAM) and study the influence of the additional bosonic degrees of freedom on the real-time dynamics. In equilibrium the bosonic bath features an additional quantum critical point leading to a localised phase once the coupling to a sub-ohmic bosonic bath exceeds a critical value. In general the coupled bosonic bath leads to a renormalisation of the Coulomb interaction. We show that the dynamics is influenced by the specific choice of the bath exponents. For a F-type combination the non-equilibrium dynamics can be completely reproduced by an effective purely fermionic SIAM while for a B-type combination the nature of the bosonic bath and the coupling strength has a profound impact on the electron dynamics which can only be partially understood by an effective SIAM. Furthermore, we investigate the spin dynamics of an initially polarised impurity spin which is coupled to a fermionic and a bosonic bath leading to the Bose-Fermi Kondo model (BFKM). Through the coupling to the fermionic bath the polarisation vanishes with time. We show that in analogy to the spin-boson model (SBM) an initially coupling to the bosonic bath affects the real-time dynamics fundamentally leading to a remaining polarisation for long times.
Using a nonequilibrium renormalization group method we study the real-time evolution of spin and current in the anisotropic Kondo model (both antiferromagnetic and ferromagnetic) at a finite magnetic field h(0) and bias voltage V. We derive analytic expressions for all times in the weak-coupling regime max{V, h(0),1/t} >> T(c) (T(c) is the strong-coupling scale). We find that all observables decay both with the spin relaxation and decoherence rates Gamma(1/2). Various V-dependent logarithmic, oscillatory, and power-law contributions are predicted. The low-energy cutoff of logarithmic terms is generically identified by the difference of transport decay rates. For small times t << max{V, h(0)}(-1), we obtain universal dynamics for spin and current.
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.
We apply a recently developed nonequilibrium real-time renormalization group (RG) method in frequency space to describe nonlinear quantum transport through a small fermionic quantum system coupled weakly to several reservoirs via spin and/or orbital fluctuations. Within a weak-coupling two-loop analysis, we derive analytic formulas for the nonlinear conductance and the kernel determining the time evolution of the reduced density matrix. A consistent formalism is presented how the RG flow is cut off by relaxation and dephasing rates. We apply the general formalism to the nonequilibrium anisotropic Kondo model at finite magnetic field. We consider the weak-coupling regime, where the maximum of voltage and bare magnetic field is larger than the Kondo temperature. In this regime, we calculate the nonlinear conductance, the magnetic susceptibility, the renormalized spin relaxation and dephasing rates, and the renormalized ggg factor. All quantities are considered up to the first logarithmic correction beyond leading order at resonance. Up to a redefinition of the Kondo temperature, we confirm previous results for the conductance and the magnetic susceptibility in the isotropic case. In addition, we present a consistent calculation of the resonant line shapes, including the determination whether the spin relaxation or dephasing rate cuts off the logarithmic divergence. Furthermore, we calculate quantities characterizing the exponential decay of the time evolution of the magnetization. In contrast to the conductance, we find that the derivative of the spin relaxation (dephasing) rate with respect to the magnetic field is logarithmically enhanced (suppressed) for voltages smaller (larger) than the renormalized magnetic field, and that the logarithmic divergence is cut off by the opposite rate. The renormalized ggg factor is predicted to show a symmetric logarithmic suppression at resonance, which is cut off by the spin relaxation rate. We propose a three-terminal setup to measure the suppression at resonance. For all quantities, we analyze also the anisotropic case and find additional nonequilibrium effects at resonance.
We address the fundamental question how the spatial Kondo correlations are building up in time assuming an initially decoupled impurity spin ${\stackrel{P\vec}{S}}_{\mathrm{imp}}$. We investigate the time-dependent spin-correlation function $\ensuremath{\chi}(\stackrel{P\vec}{r},t)=\ensuremath{\langle}{\stackrel{P\vec}{S}}_{\mathrm{imp}}\stackrel{P\vec}{s}(\stackrel{P\vec}{r})\ensuremath{\rangle}(t)$ in the Kondo model with antiferromagnetic and ferromagnetic couplings, where $\stackrel{P\vec}{s}(\stackrel{P\vec}{r})$ denotes the spin density of the conduction electrons after switching on the Kondo coupling at time t=0t=0t=0. We present data obtained from a time-dependent numerical renormalisation group (TD-NRG) calculation. We gauge the accuracy of our two-band NRG by the spatial sum rules of the equilibrium correlation functions and the reproduction of the analytically exactly known spin-correlation function of the decoupled Fermi sea. We find a remarkable building up of Kondo correlation outside of the light cone defined by the Fermi velocity of the host metal. By employing a perturbative approach exact in second-order of the Kondo coupling, we connect these surprising correlations to the intrinsic spin-density entanglement of the Fermi sea. The thermal wavelength supplies a cutoff scale at finite temperatures beyond which correlations are exponentially suppressed. We present data for the frequency dependent retarded spin-spin susceptibility and use the results to calculate the real-time response of a weak perturbation in linear response: within the spatial resolution no response outside of the light cone is found.