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arXiv:cond-mat/9707307 · Physical review. B, Condensed matter

Exact nonequilibrium current from the partition function for impurity-transport problems

Sergei Skorik

Published May 15, 1998• 2 citations
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Abstract

We study the partition functions of quantum impurity problems in the domain of complex applied bias for its relation to the nonequilibrium current suggested by Fendley, Lesage, and Saleur [J. Stat. Phys. 85, 211 (1996)]. The problem is reformulated as a certain generalization of the linear response theory that accommodates an additional complex variable. It is shown that the mentioned relation holds in a rather generic case in the linear response limit, or under certain condition out of equilibrium. This condition is trivially satisfied by the quadratic Hamiltonians and is rather restrictive for the interacting models. An example is given when the condition is violated.

DOI
10.1103/physrevb.57.12772

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We study the partition functions of quantum impurity problems in the domain of complex applied bias for its relation to the nonequilibrium current suggested by Fendley, Lesage, and Saleur [J. Stat. Phys. 85, 211 (1996)]. The problem is reformulated as a certain generalization of the linear response theory that accommodates an additional complex variable. It is shown that the mentioned relation holds in a rather generic case in the linear response limit, or under certain condition out of equilibrium. This condition is trivially satisfied by the quadratic Hamiltonians and is rather restrictive for the interacting models. An example is given when the condition is violated.
We study the partition functions of quantum impurity problems in the domain of complex applied bias for its relation to the non-equilibrium current suggested by Fendley, Lesage and Saleur (cond-mat/9510055). The problem is reformulated as a certain generalization of the linear response theory that accomodates an additional complex variable. It is shown that the mentioned relation holds in a rather generic case in the linear response limit, or under certain condition out of equilibrium. This condition is trivially satisfied by the quadratic Hamiltonians and is rather restrictive for the interacting models. An example is given when the condition is violated.
By mapping steady-state nonequilibrium to an effective equilibrium, we formulate nonequilibrium problems within an equilibrium picture. The Hamiltonian in the open system is rewritten in terms of scattering states with appropriate boundary condition. We first study the analytic properties of many-body scattering states, impose the boundary-condition operator in a statistical operator and prove that this mapping is equivalent to the linear-response theory in the low-bias limit. In an example of infinite-UUU Anderson impurity model, we approximately solve the scattering state creation operators, based on which we derive the bias operator $\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{Y}$ to construct the nonequilibrium ensemble in the form of the Boltzmann factor ${e}^{\ensuremath{-}\ensuremath{\beta}(\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{H}\ensuremath{-}\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{Y})}$. The resulting effective Hamiltonian is solved by noncrossing approximation. We obtain the $I\text{\ensuremath{-}}V$ features of Kondo anomaly conductance at zero bias, inelastic transport via the charge excitation on the quantum dot, and significant inelastic current background over a wide range of bias.
The theoretical description of strongly correlated quantum systems out of equilibrium presents several challenges and a number of open questions persist. In this paper we focus on nonlinear electronic transport through an interacting quantum dot maintained at finite bias using a concept introduced by Hershfield [Phys. Rev. Lett. 70, 2134 (1993)] whereby one can express such nonequilibrium quantum impurity models in terms of the system's Lippmann-Schwinger operators. These scattering operators allow one to reformulate the nonequilibrium problem as an effective equilibrium problem associated with a modified Hamiltonian. In this paper we provide a pedagogical analysis of the core concepts of the effective equilibrium theory. First, we demonstrate the equivalence between observables computed using the Schwinger-Keldysh framework and the effective equilibrium approach, and relate the Green's functions in the two theoretical frameworks. Second, we expound some applications of this method in the context of interacting quantum impurity models. We introduce a novel framework to treat effects of interactions perturbatively while capturing the entire dependence on the bias voltage. For the sake of concreteness, we employ the Anderson model as a prototype for this scheme. Working at the particle-hole symmetric point, we investigate the fate of the Abrikosov-Suhl resonance as a function of bias voltage and magnetic field.
We discuss in more details the theory of low energy excitations in quantum impurity problems with an external field at vanishing temperature, giving further support to results of the previous paper. We then extend these results to the next order at low frequency, obtaining in particular the exact expression, as a function of the bias, of the first two derivatives of the response function χ ′ ′ (ω) at ω = 0 in the double well problem of dissipative quantum mechanics. We also extend our approach to the case of non vanishing temperature and no external field. Fendley et al. had obtained in that case an expression for the Hall conductance with a single impurity using a Landauer-Büttiker type approach. We recover their result in the framework of linear response theory using renormalized form-factors. We also obtain, as a function of the temperature, the first derivative of the response function χ ′ ′ (ω) at ω = 0 in the double well problem of dissipative quantum mechanics. 12/96
Quantum dot devices may be tuned to Kondo models which have non-interacting limits such as the Toulouse limit. At sufficiently low temperatures the Toulouse limit can be used to make predictions for charge transport in the devices driven away from equilibrium, e.g. with an ac bias. We investigate non-equilibrium transport in a resonant level model with a single lead which may be mapped onto the Toulouse limit of the one-channel Kondo model. The main results are expressions for the charge current that are exact in the tunnelling couplings, while remaining in the linear response regime of the time-dependent voltage bias. We also show how the line of enquiry directly extends to the tunnelling junction studied by A.~Schiller and S.~Hershfield in which a Kondo impurity interacts separately with two leads.
We present improvements of a recently introduced numerical method [E. Arrigoni et al., Phys. Rev. Lett. 110, 086403 (2013)] to compute steady-state properties of strongly correlated electronic systems out of equilibrium. The method can be considered as a nonequilibrium generalization of exact diagonalization based dynamical mean-field theory (DMFT). The key modification for the nonequilibrium situation consists in addressing the DMFT impurity problem within an auxiliary system consisting of the correlated impurity, Nb{N}_{b}Nb​ uncorrelated bath sites, and two Markovian environments (sink and reservoir). Algorithmic improvements in the impurity solver allow to treat efficiently larger values of Nb{N}_{b}Nb​ than previously in DMFT. This increases the accuracy of the results and is crucial for a correct description of the physical behavior of the system in the relevant parameter range including a semiquantitative description of the Kondo regime. To illustrate the approach, we consider a monoatomic layer of correlated orbitals, described by the single-band Hubbard model, attached to two metallic leads. The nonequilibrium situation is driven by a bias voltage applied to the leads. For this system, we investigate the spectral function and the steady-state current-voltage characteristics in the weakly as well as in the strongly interacting limit. In particular, we investigate the nonequilibrium behavior of quasiparticle excitations within the Mott gap of the correlated layer. We find for low-bias voltage Kondo-type behavior in the vicinity of the insulating phase. In particular, we observe a splitting of the Kondo resonance as a function of the bias voltage.