No Arabic abstract
We investigate several definitions of the time-dependent spectral function $A(omega,t)$ of the Anderson impurity model following a quench and within the time-dependent numerical renormalization group method. In terms of the two-time retarded Green function $G^r(t_1,t_2)$, the definitions differ in the choice of the time variable $t$ with respect to $t_1$ and/or $t_2$. In a previous study [Nghiem {it et al.} Phys. Rev. Lett. 119, 156601 (2017)], we investigated the spectral function, obtained from the Fourier transform of ${rm Im}[G^r(t_1,t_2)]$ w.r.t. the time difference $t=t_1-t_2$, with $t=t_2$. Here, we derivie expressions for the retarded Green function for the choices $t=t_1$ and the average time $t=(t_1+t_2)/2$, within the TDNRG approach. We compare and contrast the resulting $A(omega,t)$ for the different choices of time reference. Expressions for the lesser, greater and advanced Green functions are also derived within TDNRG for all choices of time reference. The average time lesser Green function $G^<(omega,t)$ is particularly interesting, as it determines the time-dependent occupied density of states $N(omega,t)=G^<(omega,t)/(2pi i)$, a quantity that determines the photoemission current in time-resolved pump-probe photoemission spectroscopy. We present calculations for $N(omega,t)$ for the Anderson model following a quench, and discuss the resulting time evolution of the spectral features, such as the Kondo resonance and high-energy peaks. We also discuss the issue of thermalization at long times for $N(omega,t)$. Finally, we use the results for $N(omega,t)$ to calculate the time-resolved photoemission current for the Anderson model following a quench (acting as the pump) and study the different behaviors that can be observed for different resolution times of a Gaussian probe pulse.
The self-energy method for quantum impurity models expresses the correlation part of the self-energy in terms of the ratio of two Green functions and allows for a more accurate calculation of equilibrium spectral functions, than is possible directly from the one-particle Green function [Bulla {it et al.} Journal of Physics: Condensed Matter {bf 10}, 8365 (1998)], for example, within the numerical renormalization group method. In addition, the self-energy itself is a central quantity required in the dynamical mean field theory of strongly correlated lattice models. Here, we show how to generalize the self-energy method to the time-dependent situation for the prototype model of strong correlations, the Anderson impurity model . We use the equation of motion method to obtain closed expressions for the local Green function in terms of a time-dependent correlation self-energy, with the latter being given as a ratio of a two- and a one-particle time-dependent Green function. We benchmark this self-energy approach to time-dependent spectral functions against the direct approach within the time-dependent numerical renormalization group method. The self-energy approach improves the accuracy of time-dependent spectral function calculations, and, the closed form expressions for the Green function allow for a clear picture of the time-evolution of spectral features at the different characteristic time-scales. The self-energy approach is of potential interest also for other quantum impurity solvers for real-time evolution, including time-dependent density matrix renormalization group and continuous time quantum Monte Carlo techniques.
We investigate the time evolution of the Kondo resonance in response to a quench by applying the time-dependent numerical renormalization group (TDNRG) approach to the Anderson impurity model in the strong correlation limit. For this purpose, we derive within TDNRG a numerically tractable expression for the retarded two-time nonequilibrium Green function $G(t+t,t)$, and its associated time-dependent spectral function, $A(omega,t)$, for times $t$ both before and after the quench. Quenches from both mixed valence and Kondo correlated initial states to Kondo correlated final states are considered. For both cases, we find that the Kondo resonance in the zero temperature spectral function, a preformed version of which is evident at very short times $tto 0^{+}$, only fully develops at very long times $tgtrsim 1/T_{rm K}$, where $T_{rm K}$ is the Kondo temperature of the final state. In contrast, the final state satellite peaks develop on a fast time scale $1/Gamma$ during the time interval $-1/Gamma lesssim t lesssim +1/Gamma$, where $Gamma$ is the hybridization strength. Initial and final state spectral functions are recovered in the limits $trightarrow -infty$ and $trightarrow +infty$, respectively. Our formulation of two-time nonequilibrium Green functions within TDNRG provides a first step towards using this method as an impurity solver within nonequilibrium dynamical mean field theory.
The Kondo resonance at the Fermi level is well-established for the electronic structure of Ce (f1 electron) and Yb (f1 hole) based systems. In this work, we report complementary experimental and theoretical studies on the Kondo resonance in Pr-based f2 system, PrTi2Al20. Using Pr 3d-4f resonant photoemission spectroscopy and single impurity Anderson model (SIAM) calculations including the full multiplets of Pr ions, we show that an f2 system can also give rise to a Kondo resonance at the Fermi level. The Kondo resonance peak is experimentally observed through a final-state-multiplet dependent resonance and is reproduced with properly tuned hybridization strength in SIAM calculations.
One of the main open problems in the field of transport in strongly interacting nanostructures is the understanding of currents beyond the linear response regime. In this work, we consider the single-impurity Anderson model and use the adaptive time-dependent density matrix renormalization group (tDMRG) method to compute real-time currents out of equilibrium. We first focus on the particle-hole symmetric point where Kondo correlations are the strongest and then extend the study of the nonequilibrium transport to the mixed-valence regime. As a main result, we present accurate data for the current-voltage characteristics of this model.
We investigate static and dynamical ground-state properties of the two-impurity Anderson model at half filling in the limit of vanishing impurity separation using the dynamical density-matrix renormalization group method. In the weak-coupling regime, we find a quantum phase transition as function of inter-impurity hopping driven by the charge degrees of freedom. For large values of the local Coulomb repulsion, the transition is driven instead by a competition between local and non-local magnetic correlations. We find evidence that, in contrast to the usual phenomenological picture, it seems to be the bare effective exchange interactions which trigger the observed transition.