Results are presented for the nonequilibrium infinite-U Anderson model using a large-N approach, where $N$ is the degeneracy of the impurity level, and where nonequilibrium is established by coupling the level to two leads at two different chemical potentials so that there is current flow. A slave-boson representation combined with Keldysh functional integral methods is employed. Expressions for the static spin susceptibility $χ_S$ and the conductance $G$ are presented to ${\cal O}(\frac{1}{N})$ and for an applied voltage difference $V$ less than the Kondo temperature. The correlation function for the slave-boson is found to be significantly modified from its equilibrium form in that it acquires a rapid decay in time with a rate that equals the current induced decoherence rate. Physical observables are found to have a rather complex dependence on the coupling strength to the two leads which can lead to asymmetric behavior $χ_S(V) \neq χ_S(-V)$, $G(V)\neq G(-V)$ both in the mixed valence and in the Kondo regime.
The paper has been withdrawn. The revised version is shown as cond-mat/0506752 and published in Condensed Matter Physics, vol.10, No.2(50)235-248(2007) (Lviv, Ukraine).
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 the memory function formalism. We obtain converged results in a range of previously inaccessible regimes, in particular the crossover to the Kondo domain. We provide detailed predictions for novel nonequilibrium phenomena, including non-monotonic temperature dependence of observables at high bias voltage and oscillatory quench dynamics at high magnetic fields.
The present work is based on the nonequilibrium perturbative formalism. There the self-energies are derived up to the forth-order. In consequence, it proves that the nonequilibrium (real-time) perturbative expansion can be connected with the Matsubara imaginary-time perturbative expansion for equilibrium. As the numerical results, the Kondo resonance still disappears for bias voltage exceeding the Kondo temperatures, as observed in experiments of two terminal systems.
We study the Anderson model in which a configuration with a doublet is hybridized with another with a singlet and a triplet. We calculate the conductance through the system as a function of temperature and bias voltage, near the quantum critical line for which the system is exactly solvable. The results explain recent transport measurements in a single-molecule quantum dot.
Quantum transport is studied for the nonequilibrium Anderson impurity model at zero temperature employing the multilayer multiconfiguration time-dependent Hartree theory within the second quantization representation (ML-MCTDH-SQR) of Fock space. To adress both linear and nonlinear conductance in the Kondo regime, two new techniques of the ML-MCTDH-SQR simulation methodology are introduced: (i) the use of correlated initial states, which is achieved by imaginary time propagation of the overall Hamiltonian at zero voltage and (ii) the adoption of the logarithmic discretization of the electronic …
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 co…
We analyze the spectral function of the single-impurity two-terminal Anderson model at finite voltage using the recently developed diagrammatic quantum Monte Carlo technique as well as perturbation theory. In the (particle-hole-)symmetric case we find an excellent agreement of the numerical data with the perturbative results of second order up to interaction strengths $U/Γ\approx 2$, where $Γ$ is the transparency of the impurity-electrode interface. The analytical results are obtained in form of the nonequilibrium self-energy for which we present explicit formulas in the closed form at arbitra…
Using non-equilibrium renormalized perturbation theory, we calculate the conductance G as a function of temperature T and bias voltage V for an Anderson model, suitable for describing transport properties through a quantum dot. For renormalized parameters that correspond to the extreme Kondo limit, we do not find a simple scaling formula beyond a quadratic dependence in T and V. However, if valence fluctuations are allowed, we find agreement with recent experiments.
Within the recently introduced auxiliary master equation approach it is possible to address steady state properties of strongly correlated impurity models, small molecules or clusters efficiently and with high accuracy. It is particularly suited for dynamical mean field theory in the nonequilibrium as well as in the equilibrium case. The method is based on the solution of an auxiliary open quantum system, which can be made quickly equivalent to the original impurity problem. In its first implementation a Krylov space method was employed. Here, we aim at extending the capabilities of the approa…
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 curre…
We investigate Kondo correlations in a quantum dot with normal and superconducting electrodes, where a spin bias voltage is applied across the device and the local interaction $U$ is either attractive or repulsive. When the spin current is blockaded in the large-gap regime, this nonequilibrium strongly-correlated problem maps into an equilibrium model solvable by the numerical renormalization group method. The Kondo spectra with characteristic splitting due to the nonequilibrium spin accumulation are thus obtained at high precision. It is shown that while the bias-induced decoherence of the sp…
We study the singlet-triplet Anderson model (STAM) in which a configuration with a doublet is hybridized with another with a singlet and a triplet, as a minimal model to describe two-level quantum dots coupled to two metallic leads in effectively a one-channel fashion. The model has a quantum phase transition which separates regions of a doublet and a singlet ground state. The limits of integer valence of the STAM (which include a model similar to the underscreened spin-1 Kondo model) are derived and used to predict the behavior of the conductance through the system at both sides of the transi…
The single-impurity Anderson model is studied within the i-DFT framework, a recently proposed extension of density functional theory (DFT) for the description of electron transport in the steady state. i-DFT is designed to give both the steady current and density at the impurity, and it requires the knowledge of the exchange-correlation (xc) bias and on-site potential (gate). In this work we construct an approximation for both quantities which is accurate in a wide range of temperatures, gates and biases, thus providing a simple and unifying framework to calculate the differential conductance …
We study the high- and low-voltage properties of the out-of-equilibrium Anderson model for quantum dots, using a functional method in the Keldysh formalism. The Green's function at the impurity site can be regarded as a functional of a nonequilibrium distribution function. The dependence of the Green's function on the bias voltage V and temperature T arises through the nonequilibrium distribution function. From this behavior as a functional, it is shown that the nonequilibrium Green's function at high-voltage limit is identical to the equilibrium Green's function at high-temperature limit. Thi…
I present briefly some facts about nonequilibrium renormalized perturbation theory, correcting recent misleading statements in [E. Muñoz, F. Zamani, L. Merker, T. A. Costi, and S. Kirchner, Journal of Physics: Conf. Series 807, 092001 (2017)], and discuss some results of this work using rSPT at equilibrium.
We develop a nonperturbative dynamical theory (NDT) that is useful for treating nonequilibrium transport in a system with strong correlation. We apply our NDT to the single-impurity Anderson model in equilibrium to check its reliability by comparing with the results of numerical renormalization group method (NRG). We finally suggest a self-consistent loop to calculate the current in a lead-dot-lead system with Kondo coupling.
We investigate nonequilibrium properties of the single impurity Anderson model by means of the functional renormalization group (fRG) within Keldysh formalism. We present how the level broadening Gamma/2 can be used as flow parameter for the fRG. This choice preserves important aspects of the Fermi liquid behaviour that the model exhibits in case of particle-hole symmetry. An approximation scheme for the Keldysh fRG is developed which accounts for the frequency dependence of the two-particle vertex in a way similar but not equivalent to a recently published approximation to the equilibrium Mat…
Using a Luttinger Ward scheme for interacting gauge particles, we present a conserving many body treatment of a family of fully screened infinite U Anderson models that has a smooth cross-over into the Fermi liquid state, with a finite scattering phase shift at zero temperature and a Wilson ratio greater than one. We illustrate our method, computing the temperature dependence of the thermodynamics, resistivity and electron dephasing rate and discuss its future application to non-equilibrium quantum dots and quantum critical mixed valent systems.
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 …
We present a microscopic Fermi-liquid view on the low-energy transport through an Anderson impurity with $N$ discrete levels, at arbitrary electron filling $N_d$. It is applied to nonequilibrium current fluctuations, for which the two-quasiparticle collision integral and the three-body correlations that determine the quasiparticle energy shift play important roles. Using the numerical renormalization group up to $N=6$, we find that for strong interactions the three-body fluctuations are determined by a single parameter other than the Kondo energy scale in a wide filling range $1 \lesssim N_d \…
We study low-energy properties of the N-fold degenerate Anderson model. Using a scaling that takes u=(N-1) U as an independent variable in place of the Coulomb interaction U, the perturbation series in U is reorganized as an expansion in powers of 1/(N-1). We calculate the renormalized parameters, which characterize the Kondo state, to the next leading order in the 1/(N-1) expansion at half-filling. The results, especially the Wilson ratio, agree very closely with the exact numerical renormalization group results at N=4. This ensures the applicability of our approach to N > 4, and we present h…
We investigate the nonequilibrum transport properties of a quantum dot when spin flip processes compete with the formation of a Kondo resonance in the presence of ferromagnetic leads. Based upon the Anderson Hamiltonian in the strongly interacting limit, we predict a splitting of the differential conductance when the spin flip scattering amplitude is of the order of the Kondo temperature. We discuss how the relative orientation of the lead magnetizations strongly influences the electronic current and the shot noise in a nontrivial way. Furthermore, we find that the zero-bias tunneling magnetor…
Starting from exact eigenstates for a symmetric ring, we derive a low-energy effective generalized Anderson Hamiltonian which contains two spin doublets with opposite momenta and a singlet for the neutral molecule. For benzene, the singlet (doublets) represent the ground state of the neutral (singly charged) molecule. We calculate the non-equilibrium conductance through a benzene molecule, doped with one electron or a hole (i.e. in the Kondo regime), and connected to two conducting leads at different positions. We solve the problem using the Keldysh formalism and the non-crossing approximation…
The scaling properties of the conductance of a Kondo impurity connected to two leads that are in or out of equilibrium has been extensively studied, both experimentally and theoretically. From these studies, a consensus has emerged regarding the analytic expression of the scaling function. The question addressed in this brief report concerns the properties of the experimentally measurable coefficient $α$ present in the term describing the leading dependence of the conductance on $eV/T_K$, where $V$ is the source-drain voltage and $T_K$ the Kondo temperature. We study the dependence of $α$ on t…
We calculate the nonequilibrium conductance through a molecule or a quantum dot in which the occupation of the relevant electronic level is coupled with intensity $λ$ to a phonon mode, and also to two conducting leads. The system is described by the Anderson-Holstein Hamiltonian. We solve the problem using the Keldysh formalism and the non-crossing approximation (NCA) for both, the electron-electron and the electron-phonon interactions. We obtain a moderate decrease of the Kondo temperature $T_K$ with $λ$ for fixed renormalized energy of the localized level $\tilde{E_d}$. The meaning and value…
We present an extension of the non-crossing approximation (NCA), which is widely used to calculate properties of Anderson impurity models in the limit of infinite Coulomb repulsion $U\to\infty$, to the case of finite $U$. A self-consistent conserving pseudo-particle representation is derived by symmetrizing the usual NCA diagrams with respect to empty and doubly occupied local states. This requires an infinite summation of skeleton diagrams in the generating functional thus defining the ``Symmetrized finite-U NCA'' (SUNCA). We show that within SUNCA the low energy scale $T_K$ (Kondo temperatur…
Monte Carlo-maximum entropy calculations of the conductivity of the infinite-dimensional periodic Anderson model are presented. We show that the optical conductivity displays anomalies associated with the exhaustion of conduction-band states near the Fermi energy including a Drude weight which rises with temperature, with weight transferred from a temperature and doping-dependent mid-IR peak and a low-frequency incoherent contribution. Both the Drude and mid-IR peaks persist up to very high temperatures. The resistivity displays a non-universal peak and two other regions associated with impuri…
We show how the electron gas methods of Luttinger, Ward and Nozières can be applied to the infinite U Anderson impurity model within a Schwinger boson treatment. Working to all orders in a 1/N expansion, we show how the Friedel Langreth relationship, the Yamada-Yosida-Yoshimori and the Shiba-Korringa relations can be derived, under the assumption that the spinon and holon fields are gapped. One of the remarkable features of this treatment, is that the Landau amplitudes depend on the exchange of low energy virtual spinons and holons. We end the paper with a discussion on the extension of our ap…
The infinite-$U$ Anderson-Holstein impurity model is studied with a focus on the interplay between the strong electron correlation and the weak electron-phonon interaction. The slave boson method has been employed in combination with the large degeneracy expansion (1/N) technique. The charge and spin susceptibilities and the phonon propagator are obtained in the approximation scheme where the saddle point configuration and the Gaussian 1/N fluctuations are taken into account. The spin susceptibility is found not to be renormalized by electron-phonon interaction, while the charge susceptibility…
We extend the general formalism discussed in the previous paper [A. B. Culver and N. Andrei, Phys. Rev. B 103, 195106 (2021)] to two models with charge fluctuations: the interacting resonant level model and the Anderson impurity model. In the interacting resonant level model, we find the exact time-evolving wavefunction and calculate the steady state impurity occupancy to leading order in the interaction. In the Anderson impurity model, we find the nonequilibrium steady state for small or large Coulomb repulsion $U$, and we find that the steady state current to leading order in $U$ agrees with…
The nonequilibrium time evolution of a quantum dot is studied by means of dynamic equations for time-dependent Greens functions derived from a two-particle-irreducible (2PI) effective action for the Anderson impurity model. Coupling the dot between two leads at different voltages, the dynamics of the current through the dot is investigated. We show that the 2PI approach is capable to describe the dynamical build-up of the Kondo effect, which shows up as a sharp resonance in the spectral function, with a width exponentially suppressed in the electron self coupling on the dot. An external voltag…
The formalism for exactly calculating the retarded and advanced Green's functions of strongly correlated lattice models in a uniform electric field is derived within dynamical mean-field theory. To illustrate the method, we solve for the nonequilibrium density of states of the Hubbard model in both the metallic and Mott insulating phases at half-filling (with an arbitrary strength electric field) by employing the numerical renormalization group as the impurity solver. This general approach can be applied to any strongly correlated lattice model in the limit of large dimensions.
Transient and steady state currents through dc-biased quantum impurity models beyond the linear response regime are of considerable interest, both from an experimental and a theoretical point of view. Here we present a new analytical approach for the calculation of such currents based on the flow equation method (method of infinitesimal unitary transformations). Specifically, we analyze the Anderson impurity model in its mixed valence regime where the coupling to the leads is switched on suddenly at time $t=0$. We observe the real time buildup of the current until it reaches its steady state l…
We calculate the nonlinear cotunneling conductance through a quantum dot with 3 electrons occupying the three highest lying energy levels. Starting from a 3-orbital Anderson model, we apply a generalized Schrieffer-Wolff transformation to derive an effective Kondo model for the system. Within this model we calculate the nonequilibrium occupation numbers and the corresponding cotunneling current to leading order in the exchange couplings. We identify the inelastic cotunneling thresholds and their splittings with applied magnetic field, and make a qualitative comparison to recent experimental da…
A model for nonequilibrium dynamical mean-field theory is constructed for the infinite dimensional Hubbard lattice. We impose nonequilibrium by expressing the physical orbital as a superposition of a left-($L$) moving and right-($R$) moving electronic state with the respective chemical potential $μ_L$ and $μ_R$. Using the second-order iterative perturbation theory we calculate the quasi-particle properties as a function of the chemical potential bias between the $L$ and $R$ movers, i.e. $Φ= μ_L - μ_R$. The evolution of the nonequilibrium quasi-particle spectrum is mapped out as a function of t…
In this paper we introduce a solvable two-orbital/band model with infinite-range Hatsugai-Kohmoto interaction, which serves as a modified periodic Anderson model. Its solvability results from strict locality in momentum space, and is valid for arbitrary lattice geometry and electron filling. Case study on a one-dimension ($1D$) chain shows that the ground-states have Luttinger theorem-violating non-Fermi-liquid-like metallic state, hybridization-driven insulator and interaction-driven featureless Mott insulator. The involved quantum phase transition between metallic and insulating states belon…
We study the magnetic and superconducting instabilities of the periodic Anderson model with infinite Coulomb repulsion U in the random phase approximation. The Neel temperature and the superconducting critical temperature are obtained as functions of electronic density (chemical pressure) and hybridization V (pressure). It is found that close to the region where the system exhibits magnetic order the critical temperature T_c is much smaller than the Neel temperature, in qualitative agreement with some T_N/T_c ratios found for some heavy-fermion materials. In our study, all the magnetic and sup…
We present optimized implementations of the weak-coupling continuous-time Monte Carlo method defined for nonequilibrium problems on the Keldysh contour. We describe and compare two methods of preparing the system before beginning the real-time calculation: the "interaction quench" and the "voltage quench", which are found to be suitable for large and small voltage biasses, respectively. We also discuss technical optimizations which increase the efficiency of the real-time measurements. The methods allow the accurate simulation of transport through quantum dots over wider interaction ranges and…
The metallic phase of the two-orbital Anderson lattice is study in the limit of infinite spatial dimensions, where a second order perturbation treatment is used to solve the single-site problem. Using this approximation, in the Kondo regime, we find that the finite temperature properties of the conduction electrons exhibit the same behaviour as observed in the metallic phase of the two-channel Kondo lattice. Possible connections between these two models are discussed.
We calculate numerically the entanglement entropy of free fermion ground states in one-, two- and three-dimensional Anderson models, and find that it obeys the area law as long as the linear size of the subsystem is sufficiently larger than the mean free path. This result holds in the metallic phase of the three-dimensional Anderson model, where the mean free path is finite although the localization length is infinite. Relation between the present results and earlier ones on area law violation in special one-dimensional models that support metallic phases is discussed.
Localisation-protected quantum order extends the idea of symmetry breaking and order in ground states to individual eigenstates at arbitrary energy. Examples include many-body localised static and $π$-spin glasses in Floquet systems. Such order is inherently dynamical and difficult to detect as the order parameter typically varies randomly between different eigenstates, requiring specific superpositions of eigenstates to be targeted by the initial state. We show that two-time correlators overcome this, reflecting the presence or absence of eigenstate order even in fully-mixed, $infinite$ $temp…
The paper deals with the nonequilibrium two-lead Anderson model, considered as an adequate description for transport through a d-c biased quantum dot. Using a self-consistent equation-of-motion method generalized out of equilibrium, we calculate a fourth-order decoherence rate $γ^{(4)}$ induced by a bias voltage $V$. This decoherence rate provides a cut-off to the infrared divergences of the self-energy showing up in the Kondo regime. At low temperature, the Kondo peak in the density of states is split into two peaks pinned at the chemical potential of the two leads. The height of these peaks …
Nonequilibrium steady state in Lindblad dynamics for infinite quantum spin systems
Center for Gravitational Physics and Quantum Information, Yukawa Institute for Theoretical Physics, Kyoto University（京都大学汤川理论物理研究所引力物理与量子信息中心）；Department of Mathematics and Statistics, University of Ottawa（渥太华大学数学与统计系）；Department of Mathematics, Graduate School of Science, Kyoto University（京都大学理学研究科数学系）
We implement an efficient strong-disorder renormalization-group (SDRG) procedure to study disordered tight-binding models in any dimension and on the Erdos-Renyi random graphs, which represent an appropriate infinite dimensional limit. Our SDRG algorithm is based on a judicious elimination of most (irrelevant) new bonds generated under RG. It yields excellent agreement with exact numerical results for universal properties at the critical point without significant increase of computer time, and confirm that, for Anderson localization, the upper critical dimension duc = infinite. We find excelle…
The exact nonlinear response of noninteracting (Bloch) electrons is examined within a nonequilibrium formalism on the infinite-dimensional hypercubic lattice. We examine the effects of a spatially uniform, but time-varying electric field (ignoring magnetic-field effects). The electronic Green's functions, Wigner density of states, and time-varying current are all determined and analyzed. We study both constant and pulsed electric fields, focusing on the transient response region. These noninteracting Green's functions are an important input into nonequilibrium dynamical mean field theory for t…
When an extended system is coupled at its opposite boundaries to two reservoirs at different temperatures or chemical potentials, it cannot achieve a global thermal equilibrium and is instead driven to a set of current-carrying nonequilibrium states. Despite the broad relevance of such a scenario to metallic systems, there have been limited investigations of the entanglement structure of the resulting long-time states, in part, due to the fundamental difficulty in solving realistic models for disordered, interacting electrons. We investigate this problem by carefully analyzing two "toy" models…
