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A scattering approach to quantum impurity models in and out of equilibrium

Pankaj Mehta

Published Jan 1, 2006• 0 citations
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Scattering approach to impurity thermodynamics

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Recently the authors developed a scattering approach that allows for a complete description of the steady-state physics of quantum-impurities in and out of equilibrium. Quantum impurities are described using scattering eigenstates defined ab initio on the open, infinite line with asymptotic boundary conditions imposed by the leads. The scattering states on the open line are constructed for integrable quantum-impurity models by means of a significant generalization of the Bethe-Ansatz which we call the Scattering Bethe-Ansatz (SBA). The purpose of the paper is to present in detail the scattering approach to quantum-impurity models and the SBA and show that they reproduce well-known thermodynamic results for several widely studied models: the Resonance Level model, Interacting Resonance Level model and the Kondo model. Though the SBA is more complex than the traditional Thermodynamic Bethe Ansatz (TBA) when applied to thermodynamical questions, the scattering approach (SBA) allows access to an array of new questions that cannot be addressed otherwise, ranging from scattering of electrons off magnetic impurities to nonequilibrium dynamics.

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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 quantum regime, where all time and energy scales are of the same order of magnitude and no small parameter is available. We observe a significant influence of the non-equilibrium decay of the impurity spin polarization both in the presence and in the absence of Coulomb interaction. The exponential relaxation is faster for larger bias voltages, electron–impurity interactions and temperatures. We show that the exact relaxation rate deviates from the corresponding perturbative result. In addition, we study in detail the impurity's back action on the charge current and find a reduction of the stationary current for increasing coupling to the impurity. Moreover, our approach allows us to systematically distinguish mean-field Coulomb and impurity effects from the influence of quantum fluctuations and flip-flop scattering, respectively. In fact, we find a local maximum of the current for a finite Coulomb interaction due to the presence of the impurity.

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We derive the transport properties of a quantum impurity system, often realized as a quantum dot, subject to a source-drain bias voltage at zero temperature and magnetic field. Using the Scattering Bethe Anstaz(SBA), a generalization of the traditional Thermodynamic Bethe Ansatz(TBA) to open systems out of equilibrium, we derive some transport results for the small quantum dot, described by Anderson impurity Hamiltonian. Exact dot occupation out of equilibrium and the nonlinear conductance are obtained by introducing phenomenological spin- and charge-fluctuation distribution functions in the computation of the current. The current and dot occupation as a function of voltage are evaluated numerically. We also vary the gate voltage and study the transition from the mixed valence to the Kondo regime in the presence of a non-equilibrium current. For the larger quantum dot the Interacting Resonance Level Model is used to describe the strog correlation problem in this system. We show some current vs voltage results and compare with other theoretical results. We conclude with the difficulties we encountered by using this method and suggest some future extensions related to this SBA approach.

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Nonequilibrium steady-state transport in quantum impurity models

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•Jan 1, 2017•0 citations
Recently the authors developed a scattering approach that allows for a complete description of the steady-state physics of quantum-impurities in and out of equilibrium. Quantum impurities are described using scattering eigenstates defined ab initio on the open, infinite line with asymptotic boundary conditions imposed by the leads. The scattering states on the open line are constructed for integrable quantum-impurity models by means of a significant generalization of the Bethe-Ansatz which we call the Scattering Bethe-Ansatz (SBA). The purpose of the paper is to present in detail the scattering approach to quantum-impurity models and the SBA and show that they reproduce well-known thermodynamic results for several widely studied models: the Resonance Level model, Interacting Resonance Level model and the Kondo model. Though the SBA is more complex than the traditional Thermodynamic Bethe Ansatz (TBA) when applied to thermodynamical questions, the scattering approach (SBA) allows access to an array of new questions that cannot be addressed otherwise, ranging from scattering of electrons off magnetic impurities to nonequilibrium dynamics.
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 quantum regime, where all time and energy scales are of the same order of magnitude and no small parameter is available. We observe a significant influence of the non-equilibrium decay of the impurity spin polarization both in the presence and in the absence of Coulomb interaction. The exponential relaxation is faster for larger bias voltages, electron–impurity interactions and temperatures. We show that the exact relaxation rate deviates from the corresponding perturbative result. In addition, we study in detail the impurity's back action on the charge current and find a reduction of the stationary current for increasing coupling to the impurity. Moreover, our approach allows us to systematically distinguish mean-field Coulomb and impurity effects from the influence of quantum fluctuations and flip-flop scattering, respectively. In fact, we find a local maximum of the current for a finite Coulomb interaction due to the presence of the impurity.
We derive the transport properties of a quantum impurity system, often realized as a quantum dot, subject to a source-drain bias voltage at zero temperature and magnetic field. Using the Scattering Bethe Anstaz(SBA), a generalization of the traditional Thermodynamic Bethe Ansatz(TBA) to open systems out of equilibrium, we derive some transport results for the small quantum dot, described by Anderson impurity Hamiltonian. Exact dot occupation out of equilibrium and the nonlinear conductance are obtained by introducing phenomenological spin- and charge-fluctuation distribution functions in the computation of the current. The current and dot occupation as a function of voltage are evaluated numerically. We also vary the gate voltage and study the transition from the mixed valence to the Kondo regime in the presence of a non-equilibrium current. For the larger quantum dot the Interacting Resonance Level Model is used to describe the strog correlation problem in this system. We show some current vs voltage results and compare with other theoretical results. We conclude with the difficulties we encountered by using this method and suggest some future extensions related to this SBA approach.