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arXiv:2107.02807 · Journal of Statistical Mechanics Theory and Experiment

Quench dynamics of the Anderson impurity model at finite temperature using matrix product states: entanglement and bath dynamics

Lucas Kohn, Giuseppe E. Santoro

Published Jun 1, 2022• 27 citations
arXivHTMLPDF

Abstract

Abstract We study the dynamics of the quenched Anderson model at finite temperature using matrix product states (MPSs). Exploiting a chain mapping for the electron bath, we investigate the entanglement structure in the MPS for various orderings of the two chains, which emerge from the thermofield transformation employed to deal with nonzero temperature. We show that merging both chains can significantly lower the entanglement at finite temperatures as compared to an intuitive nearest-neighbor implementation of the Hamiltonian. Analyzing the population of the free bath modes—possible when simulating the full dynamics of impurity plus bath—we find clear signatures of the Kondo effect in the quench dynamics.

DOI
10.1088/1742-5468/ac729b

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Abstract We study the dynamics of the quenched Anderson model at finite temperature using matrix product states (MPSs). Exploiting a chain mapping for the electron bath, we investigate the entanglement structure in the MPS for various orderings of the two chains, which emerge from the thermofield transformation employed to deal with nonzero temperature. We show that merging both chains can significantly lower the entanglement at finite temperatures as compared to an intuitive nearest-neighbor implementation of the Hamiltonian. Analyzing the population of the free bath modes—possible when simulating the full dynamics of impurity plus bath—we find clear signatures of the Kondo effect in the quench dynamics.
Experimental advances have made it possible to realize and control quantum many-body systems, allowing the experimental study of non-equilibrium phenomena. Due to the Hilbert space growing exponentially with the number of particles, advanced numerical techniques are usually required to understand many-body effects at the theoretical level. In this thesis, we address the question of how to efficiently simulate the non-equilibrium dynamics of many-body systems using matrix product states (MPS). In particular, we consider quantum systems in interaction with macroscopic environments, as they appear in Anderson impurity problems, quantum thermodynamics, or open quantum systems. We develop a low-entanglement representation of the environment with only short-range interactions, perfectly suitable for simulations with MPS. We further show that an interleaved ordering of tight-binding chains can significantly reduce the creation of entanglement, as opposed to an intuitive implementation of the Hamiltonian's geometry. Our approach allows long-time simulations and an analysis of the environmental dynamics, in which, after a sudden quench, we find clear signatures of many-body effects. We employ our techniques to compute spectral functions of impurity models, with possible applications to dynamical mean-field theory impurity solvers, and to calculate dissipation in the non-equilibrium Anderson model with explicit time-dependence, as relevant for ongoing experiments with oscillating tip atomic force microscopes.
We study the growth of entanglement entropy in density-matrix renormalization-group calculations of the real-time quench dynamics of the Anderson impurity model. We find that with an appropriate choice of basis, the entropy growth is logarithmic in both the interacting and noninteracting single-impurity models. The logarithmic entropy growth is understood from a noninteracting chain model as a critical behavior separating regimes of linear growth and saturation of entropy, which correspond respectively to overlapping and gapped energy spectra of the set of bath states. We find that a logarithmic entropy growth is the generic behavior of quenched impurity models when the bath orbitals in the matrix product state are ordered in energy. A noninteracting calculation of the double-impurity Anderson model supports the conclusion in the multi-impurity case. The logarithmic growth of entanglement entropy enables studies of quench dynamics to very long times.
The Anderson impurity model is a paradigmatic example in the study of strongly correlated quantum systems and describes an interacting quantum dot coupled to electronic leads. Here we investigate its dynamics following a quantum quench based on matrix product state simulations. We examine the behavior of its impurity magnetization. Its relaxation allows us to extract the predicted scaling of the Kondo temperature as a function of the impurity-lead hybridization and quantum dot repulsion. Additionally, our simulations provide estimates of the currents in the nonequilibrium quasisteady state appearing after the quench. Through their values, we examine the dependence of the conductance on the voltage bias Vb{V}_{b}Vb​ and on the impurity chemical potential Vg{V}_{g}Vg​, which displays a zero-bias Kondo peak. Our results are relevant for transport measurements in Coulomb blockaded devices, and, in particular, in quantum dots induced in nanowires.
The numerical renormalization group (NRG) is tailored to describe interacting impurity models in equilibrium, but it faces limitations for steady-state nonequilibrium, arising, e.g., due to an applied bias voltage. We show that these limitations can be overcome by describing the thermal leads using a thermofield approach, integrating out high energy modes using NRG, and then treating the nonequilibrium dynamics at low energies using a quench protocol, implemented using the time-dependent density matrix renormalization group. This yields quantitatively reliable results for the current (with errors ≲3%) down to the exponentially small energy scales characteristic of impurity models. We present results of benchmark quality for the temperature and magnetic field dependence of the zero-bias conductance peak for the single-impurity Anderson model.
We develop a numerical method to compute the negativity, an entanglement measure for mixed states, between the impurity and the bath in quantum impurity systems at finite temperature. We construct a thermal density matrix by using the numerical renormalization group (NRG), and evaluate the negativity by implementing the NRG approximation that reduces computational cost exponentially. We apply the method to the single-impurity Kondo model and the single-impurity Anderson model. In the Kondo model, the negativity exhibits a power-law scaling at temperature much lower than the Kondo temperature and a sudden death at high temperature. In the Anderson model, the charge fluctuation of the impurity contributes to the negativity even at zero temperature when the on-site Coulomb repulsion of the impurity is finite, while at low temperature the negativity between the impurity spin and the bath exhibits the same power-law scaling behavior as in the Kondo model.