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arXiv:2304.13756 · Physical review. B./Physical review. B

Simulations of the dynamics of quantum impurity problems with matrix product states

Matteo M. Wauters, Chia-Min Chung, Lorenzo Maffi, Michele Burrello

Published Mar 1, 2024• 9 citations
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Abstract

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 ${V}_{b}$ and on the impurity chemical potential ${V}_{g}$, 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.

DOI
10.1103/physrevb.109.115101

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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.
We study the real-time dynamics of the Kondo effect after a quantum quench in which a magnetic impurity is coupled to two metallic Hubbard chains. Using an effective field theory approach, we find that for noninteracting electrons the charge current across the impurity is given by a scaling function that involves the Kondo time. In the interacting case, we show that the Kondo time decreases with the strength of the repulsive interaction and the time dependence of the current reveals signatures of the Kondo effect in a Luttinger liquid. In addition, we verify that the relaxation of the impurity magnetization does not exhibit universal scaling behavior in the perturbative regime below the Kondo time. Our results highlight the role of nonequilibrium dynamics as a valuable tool in the study of quantum impurities in interacting systems.
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 study the time evolution and steady state of the charge current in a single-impurity Anderson model, using matrix product states techniques. A nonequilibrium situation is imposed by applying a bias voltage across one-dimensional tight-binding leads. Focusing on particle-hole symmetry, we extract current-voltage characteristics from universal low-bias up to high-bias regimes, where band effects start to play a dominant role. We discuss three quenches, which after strongly quench-dependent transients yield the same steady-state current. Among these quenches we identify those favorable for extracting steady-state observables. The period of short-time oscillations is shown to compare well to real-time renormalization group results for a simpler model of spinless fermions. We find indications that many-body effects play an important role at high-bias voltage and finite bandwidth of the metallic leads. The growth of entanglement entropy after a certain time scale $\ensuremath{\propto}{\ensuremath{\Delta}}^{\ensuremath{-}1}$ is the major limiting factor for calculating the time evolution. We show that the magnitude of the steady-state current positively correlates with entanglement entropy. The role of high-energy states for the steady-state current is explored by considering a damping term in the time evolution.
Superconducting devices subject to strong charging energy interactions and Coulomb blockade are one of the key elements for the development of nanoelectronics and constitute common building blocks of quantum computation platforms and topological superconducting setups. The study of their transport properties is nontrivial and some of their nonperturbative aspects are hard to capture with the most ordinary techniques. Here we present a matrix product state approach to simulate the real-time dynamics of these systems. We propose a study of their transport based on the analysis of the currents after quantum quenches connecting such devices with external leads. Our method is based on the combination of a Wilson chain construction for the leads and a mean-field BCS description for the superconducting scatterers. In particular, we employ a quasiparticle energy eigenbasis which greatly reduces their entanglement growth and we introduce an auxiliary degree of freedom to encode the device's total charge. This approach allows us to treat nonperturbatively both their charging energy and coupling with external electrodes. We show that our construction is able to describe the Coulomb diamond structure of a superconducting dot with subgap states, including its sequential tunneling and cotunneling features. We also study the conductance zero-bias peaks caused by Majorana modes in a blockaded Kitaev chain and compare our results with common Breit-Wigner predictions.
The nonequilibrium spectral properties of the Anderson impurity model with a chemical potential bias are investigated within a numerically exact real-time quantum Monte Carlo formalism. The two-time correlation function is computed in a form suitable for nonequilibrium dynamical mean field calculations. Additionally, the evolution of the model's spectral properties are simulated in an alternative representation, defined by a hypothetical but experimentally realizable weakly coupled auxiliary lead. The voltage splitting of the Kondo peak is confirmed and the dynamics of its formation after a coupling or gate quench are studied. This representation is shown to contain additional information about the dot's population dynamics. Further, we show that the voltage-dependent differential conductance gives a reasonable qualitative estimate of the equilibrium spectral function, but significant qualitative differences are found including incorrect trends and spurious temperature dependent effects.
We investigate the dynamics of a strongly correlated quantum dot system in the mixed valence regime based on the hierarchical equations of motion (HEOM) approach. The transient and steady state transport properties after a quantum quench from equilibration by rapidly applying a bias voltage in a range of temperature below and above the Kondo temperature are described. We find that the time-dependent current exhibits a linear response behavior for weak bias voltage and outside of the linear response regime for larger bias voltage due to the transition of the voltage dependent quantum dot occupancies. The influence of the temperature, finite strongly correlated electron-electron interaction and energy level of the quantum dot on the nonlinear behavior and steady state values of current indicating the Kondo physics are explored in detail.