We use different numerical approaches to calculate the double occupancy and mag- netic susceptibility as a function of a bias voltage in an Anderson impurity model. Specifically, we compare results from the Matsubara-voltage quantum Monte-Carlo approach (MV-QMC), the scattering-states numerical renormalization group (SNRG), and real-time quantum Monte-Carlo (RT-QMC), covering Coulomb repulsions ranging from the weak-coupling well into the strong- coupling regime. We observe a distinctly different behavior of the double occupancy and the magnetic response. The former measures charge fluctuations and thus only indirectly exhibits the Kondo scale, while the latter exhibits structures on the scale of the equilibrium Kondo tempera- ture. The Matsubara-voltage approach and the scattering-states numerical renormalization group yield consistent values for the magnetic susceptibility in the Kondo limit. On the other hand, all three numerical methods produce different results for the behavior of charge fluctuations in strongly interacting dots out of equilibrium.
We use different numerical approaches to calculate the double occupancy and mag- netic susceptibility as a function of a bias voltage in an Anderson impurity model. Specifically, we compare results from the Matsubara-voltage quantum Monte-Carlo approach (MV-QMC), the scattering-states numerical renormalization group (SNRG), and real-time quantum Monte-Carlo (RT-QMC), covering Coulomb repulsions ranging from the weak-coupling well into the strong- coupling regime. We observe a distinctly different behavior of the double occupancy and the magnetic response. The former measures charge fluctuations and thus only indirectly exhibits the Kondo scale, while the latter exhibits structures on the scale of the equilibrium Kondo tempera- ture. The Matsubara-voltage approach and the scattering-states numerical renormalization group yield consistent values for the magnetic susceptibility in the Kondo limit. On the other hand, all three numerical methods produce different results for the behavior of charge fluctuations in strongly interacting dots out of equilibrium.
Using different techniques, and Fermi-liquid relationships, we calculate the variation with the applied magnetic field (up to second order) of the zero-temperature equilibrium conductance through a quantum dot described by the impurity Anderson model. We focus on the strong-coupling limit $U\ensuremath{\gg}\mathrm{\ensuremath{\Delta}}$, where U is the Coulomb repulsion and $\mathrm{\ensuremath{\Delta}}$ is half the resonant-level width, and consider several values of the dot level energy Ed, ranging from the Kondo regime ${\ensuremath{\epsilon}}_{F}\ensuremath{-}{E}_{d}\ensuremath{\gg}\mathrm{\ensuremath{\Delta}}$ to the intermediate-valence regime ${\ensuremath{\epsilon}}_{F}\ensuremath{-}{E}_{d}\ensuremath{\sim}\mathrm{\ensuremath{\Delta}}$, where ${\ensuremath{\epsilon}}_{F}$ is the Fermi energy. We have mainly used the density-matrix renormalization group (DMRG) and the numerical renormalization group (NRG) combined with renormalized perturbation theory (RPT). Results for the dot occupancy and magnetic susceptibility from the DMRG and NRG+RPT are compared with the corresponding Bethe ansatz results for $U\ensuremath{\rightarrow}\ensuremath{\infty}$, showing an excellent agreement once Ed is renormalized by a constant Haldane shift. For $U<3\mathrm{\ensuremath{\Delta}}$ a simple perturbative approach in U agrees very well with the other methods. The conductance decreases with the applied magnetic field for dot occupancies ${n}_{d}\ensuremath{\sim}1$ and increases for ${n}_{d}\ensuremath{\sim}0.5$ or ${n}_{d}\ensuremath{\sim}1.5$ regardless of the value of U. We also relate the energy scale for the magnetic-field dependence of the conductance with the width of the low-energy peak in the spectral density of the dot.
We study the single-impurity Anderson model out of equilibrium under the influence of a bias voltage ϕ and a magnetic field B . We investigate the interplay between the shift ( ) of the Kondo peak in the spin-resolved density of states (DOS) and the one ( ) of the conductance anomaly. In agreement with experiments and previous theoretical calculations we find that, while the latter displays a rather linear behavior with an almost constant slope as a function of B down to the Kondo scale, the DOS shift first features a slower increase reaching the same behavior as only for . Our auxiliary master equation approach yields highly accurate nonequilibrium results for the DOS and for the conductance all the way from within the Kondo up to the charge fluctuation regime, showing excellent agreement with a recently introduced scheme based on a combination of numerical renormalization group with time-dependent density matrix renormalization group.
Correlations are a central ingredient of modern condensed matter physics. With the advent of mesoscopic physics, it became possible to study correlated systems in non-equilibrium situations, which can be reached by e.g. driving a constant current through a quantum dot. A basic question is how correlations on the one hand and a non-equilibrium current on the other hand influence each other. Here this interplay is studied for the model system of a quantum dot in the Kondo regime using the real time renormalization group (RTRG) method. This method is a functional renormalization group (RG) method allowing a non-perturbative description of correlated systems in non-equilibrium. For the Kondo quantum dot the method is generalized to the case of double vertices. The RTRG method not only provides equations for the calculation of the renormalized coupling between the quantum dot spin and the reservoir electrons, but also equations for the calculation of the non-equilibrium decoherence rate and the non-equilibrium current.The RG equations are derived to second order. This approximation is expected to be valid as long as the quantum dot does not enter the strong coupling regime, i.e. the effective coupling strength between the quantum dot spin and the electrons does not become too large. It is found that this is the case if the bias voltage applied to the dot or the temperature is much larger than the Kondo temperature.It is shown that the RG equations lead to coupling functions depending on the energy of the incident and the scattered electron. This dependence is simplified to the dependence on the average energy of the incident and the scattered electron in the weak coupling regime.A closer inspection of the RG equations for the couplings shows that they not only contain terms leading to a logarithmic increase of the coupling strength but also subleading terms which are unimportant in the weak coupling regime. The RG equations are solved analytically for the case where the subleading terms are neglected. It is found that the coupling functions develop resonances at energies associated with the chemical potentials of the reservoirs. The height of these resonances is determined by the decoherence rate. However, for bias voltages much larger than the Kondo temperature these resonances do not affect the conductance for a two terminal setup, so the conductance does not provide a measure for the decoherence rate in this case. It is found that the conductance for the two terminal setup is a universal function of voltage/Kondo temperature and temperature/Kondo temperature in the weak coupling regime. This function is calculated analytically in the limits of vanishing voltage or temperature. Furthermore, it is found that for zero temperature the decoherence rate is proportional to the non-equilibrium current flowing through the system. This supports the physical picture that a non-equilibrium current is associated with a decoherence rate, which cuts the logarithmic scaling of the coupling strength.Finally, the RG equations are solved numerically for zero temperature including the subleading corrections found before. As expected, the subleading corrections have no impact on the decoherence rate and the conductance in the weak coupling regime. On the other hand, it is found that they lead to strong deviations from the results of the analytic leading logarithmic approximation if the bias voltage approaches the Kondo temperature. Generally, it is found that the subleading corrections lead to a saturation of the decoherence rate and the conductance to some finite value. However, for the numerical solution a numerical regularization parameter has to be introduced. It turns out that the saturation value found depends on its value, so no statements on the precise value of the decoherence rate and the current can be made in this regime.
We investigate the dynamical and steady-state spin response of the nonequilibrium Anderson model to magnetic fields, bias voltage, and temperature using a numerically exact method combining a bold-line quantum Monte Carlo technique with a memory function formalism. We obtain converged results in a range of previously inaccessible regimes, in particular calculating the spin dynamics for a range of temperatures down to the crossover to the Kondo domain. We provide predictions for nonequilibrium phenomena, including nonmonotonic temperature dependence of observables at high bias voltage and oscillatory quench dynamics at high magnetic fields.
Numerical renormalization group (NRG) is formulated for nonequilibrium steady-state by converting finite-lattice many-body eigenstates into scattering states. Extension of the full-density-matrix NRG for a biased Anderson impurity model, simplified by formulating with the original orbital basis as the Hamiltonian, enables detailed studies of the sub-Kondo spectral evolution in the zero-temperature limit, confirming the double-resonance structure at bias of the Kondo energy scale TK. The distribution shows distinct multi-scale spectral features at energy ω below the Kondo scale (ω≲TK) and near the bias (ω≳V), leading to the nonequilibrium temperature Tloc local to the Kondo dot scaling as kBTloc≈V for V≫TK. The current-voltage relation in the low-temperature limit (T≪TK) deviates from the unitary limit as the bias exceeds the Kondo scale (V/2≳TK) and reaches the current saturation regime.
We study the non-equilibrium dynamics of a spinful single-orbital quantum dot with an incorporated quantum mechanical spin-1/2 magnetic impurity. Due to the spin degeneracy, double occupancy is allowed, and Coulomb interaction together with the exchange coupling of the magnetic impurity influence the dynamics. By extending the iterative summation of real-time path integrals (ISPI) to this coupled system, we monitor the time-dependent non-equilibrium current and the impurity spin polarization to determine features of the time-dependent non-equilibrium dynamics. We particulary focus on the deep quantum regime, where all time and energy scales are of the same order of magnitude and no small parameter is available. We observe a significant influence of the non-equilibrium decay of the impurity spin polarization both in the presence and in the absence of Coulomb interaction. The exponential relaxation is faster for larger bias voltages, electron–impurity interactions and temperatures. We show that the exact relaxation rate deviates from the corresponding perturbative result. In addition, we study in detail the impurity's back action on the charge current and find a reduction of the stationary current for increasing coupling to the impurity. Moreover, our approach allows us to systematically distinguish mean-field Coulomb and impurity effects from the influence of quantum fluctuations and flip-flop scattering, respectively. In fact, we find a local maximum of the current for a finite Coulomb interaction due to the presence of the impurity.