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arXiv:cond-mat/0511656 · Physical Review B

Applicability of the equations-of-motion technique for quantum dots

Vyacheslavs Kashcheyevs, Amnon Aharony A, Ora Entin-wohlman A

Published Mar 27, 2006• 95 citations
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Abstract

The equations-of-motion (EOM) hierarchy satisfied by the Green functions of a quantum dot embedded in an external mesoscopic network is considered within a high-order decoupling approximation scheme. Exact analytic solutions of the resulting coupled integral equations are presented in several limits. In particular, it is found that at the particle-hole symmetric point the EOM Green function is temperature independent due to a discontinuous change in the imaginary part of the interacting self-energy. However, this imaginary part obeys the Fermi liquid unitarity requirement away from this special point, at zero temperature. Results for the occupation numbers, the density of states, and the local spin susceptibility are compared with exact Fermi liquid relations and the Bethe ansatz solution. The approximation is found to be very accurate far from the Kondo regime. In contrast, the description of the Kondo effect is valid on a qualitative level only. In particular, we find that the Friedel sum-rule is considerably violated, up to 30%, and the spin susceptibility is underestimated. We show that the widely used simplified version of the EOM method, which does not account fully for the correlations on the network, fails to produce the Kondo correlations even qualitatively.

DOI
10.1103/physrevb.73.125338

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The equations-of-motion (EOM) hierarchy satisfied by the Green functions of a quantum dot embedded in an external mesoscopic network is considered within a high-order decoupling approximation scheme. Exact analytic solutions of the resulting coupled integral equations are presented in several limits. In particular, it is found that at the particle-hole symmetric point the EOM Green function is temperature independent due to a discontinuous change in the imaginary part of the interacting self-energy. However, this imaginary part obeys the Fermi liquid unitarity requirement away from this special point, at zero temperature. Results for the occupation numbers, the density of states, and the local spin susceptibility are compared with exact Fermi liquid relations and the Bethe ansatz solution. The approximation is found to be very accurate far from the Kondo regime. In contrast, the description of the Kondo effect is valid on a qualitative level only. In particular, we find that the Friedel sum-rule is considerably violated, up to 30%, and the spin susceptibility is underestimated. We show that the widely used simplified version of the EOM method, which does not account fully for the correlations on the network, fails to produce the Kondo correlations even qualitatively.
The equation of motion method (EOM) is one of the approximations to calculate transport coefficients of interacting electron systems. The method is known to be useful to examine high-temperature properties. However, sometimes a naive application of the EOM fails to capture an important physics at low-energy scale, and it happens in recent preprints cond-mat/0309458 and cond-mat/0308413 which study a series of quantum dots. These preprints concluded that a unitarity-limit transport due to the Kondo resonance, which has been deduced from a Fermi-liquid behavior of the self-energy at T=0, ω=0ω=0ω=0 [A.O., PRB {\bf 63}, 115305 (2001)], does not occur. We show that the EOM self-energy obtained with a finite cluster has accidentally a singular 1/ω1/ω1/ω dependence around the Fermi energy, and it misleads one to the result incompatible with a Fermi-liquid ground state.
We study correlated two-level quantum dots, coupled in effective one-channel fashion to metallic leads, with electron interactions including on-level and interlevel Coulomb repulsions, as well as the interorbital Hund's rule exchange favoring the spin-1 state in the relevant sector of the free dot. For arbitrary dot occupancy, the underlying phases, quantum phase transitions (QPTs), thermodynamics, single-particle dynamics, and electronic transport properties are considered, and direct comparison is made to conductance experiments on lateral quantum dots. Two distinct phases arise generically, one characterized by a normal Fermi liquid fixed point (FP) and the other by an underscreened (USC) spin-1 FP. Associated QPTs, which occur in general in a mixed valent regime of nonintegral dot charge, are found to consist of continuous lines of Kosterlitz-Thouless transitions, separated by first-order level-crossing transitions at high symmetry points. A ``Friedel-Luttinger sum rule'' is derived and, together with a deduced generalization of Luttinger's theorem to the USC phase (a singular Fermi liquid), is used to obtain a general result for the T=0T=0T=0 zero-bias conductance, expressed solely in terms of the dot occupancy and applicable to both phases. Relatedly, dynamical signatures of the QPT show two broad classes of behavior, corresponding to the collapse of either a Kondo resonance, or antiresonance, as the transition is approached from the Fermi liquid phase, the latter behavior being apparent in experimental differential conductance maps. The problem is studied using the numerical renormalization group method, combined with analytical arguments.
A general theoretical formulation for the effect of a strong on-site Coulomb interaction on the time-dependent electron transport through a quantum dot under the influence of arbitrary time-varying bias voltages and/or external fields is presented, based on slave bosons and the Keldysh nonequilibrium Green's function (GF) techniques. To avoid the difficulties of computing double-time GFs, we generalize the propagation scheme recently developed by Croy and Saalmann to combine the auxiliary-mode expansion with the celebrated Lacroix's decoupling approximation in dealing with the second-order correlated GFs and then establish a closed set of coupled equations of motion, called second-order quantum rate equations (SOQREs), for an exact description of transient dynamics of electron correlated tunneling. We verify that the stationary solution of our SOQREs is able to correctly describe the Kondo effect on a qualitative level. Moreover, a comparison with other methods, such as the second-order von Neumann approach and Hubbard-I approximation, is performed. As illustrations, we investigate the transient current behaviors in response to a step voltage pulse and a harmonic driving voltage, and linear admittance as well, in the cotunneling regime.
Correlations are a central ingredient of modern condensed matter physics. With the advent of mesoscopic physics, it became possible to study correlated systems in non-equilibrium situations, which can be reached by e.g. driving a constant current through a quantum dot. A basic question is how correlations on the one hand and a non-equilibrium current on the other hand influence each other. Here this interplay is studied for the model system of a quantum dot in the Kondo regime using the real time renormalization group (RTRG) method. This method is a functional renormalization group (RG) method allowing a non-perturbative description of correlated systems in non-equilibrium. For the Kondo quantum dot the method is generalized to the case of double vertices. The RTRG method not only provides equations for the calculation of the renormalized coupling between the quantum dot spin and the reservoir electrons, but also equations for the calculation of the non-equilibrium decoherence rate and the non-equilibrium current.The RG equations are derived to second order. This approximation is expected to be valid as long as the quantum dot does not enter the strong coupling regime, i.e. the effective coupling strength between the quantum dot spin and the electrons does not become too large. It is found that this is the case if the bias voltage applied to the dot or the temperature is much larger than the Kondo temperature.It is shown that the RG equations lead to coupling functions depending on the energy of the incident and the scattered electron. This dependence is simplified to the dependence on the average energy of the incident and the scattered electron in the weak coupling regime.A closer inspection of the RG equations for the couplings shows that they not only contain terms leading to a logarithmic increase of the coupling strength but also subleading terms which are unimportant in the weak coupling regime. The RG equations are solved analytically for the case where the subleading terms are neglected. It is found that the coupling functions develop resonances at energies associated with the chemical potentials of the reservoirs. The height of these resonances is determined by the decoherence rate. However, for bias voltages much larger than the Kondo temperature these resonances do not affect the conductance for a two terminal setup, so the conductance does not provide a measure for the decoherence rate in this case. It is found that the conductance for the two terminal setup is a universal function of voltage/Kondo temperature and temperature/Kondo temperature in the weak coupling regime. This function is calculated analytically in the limits of vanishing voltage or temperature. Furthermore, it is found that for zero temperature the decoherence rate is proportional to the non-equilibrium current flowing through the system. This supports the physical picture that a non-equilibrium current is associated with a decoherence rate, which cuts the logarithmic scaling of the coupling strength.Finally, the RG equations are solved numerically for zero temperature including the subleading corrections found before. As expected, the subleading corrections have no impact on the decoherence rate and the conductance in the weak coupling regime. On the other hand, it is found that they lead to strong deviations from the results of the analytic leading logarithmic approximation if the bias voltage approaches the Kondo temperature. Generally, it is found that the subleading corrections lead to a saturation of the decoherence rate and the conductance to some finite value. However, for the numerical solution a numerical regularization parameter has to be introduced. It turns out that the saturation value found depends on its value, so no statements on the precise value of the decoherence rate and the current can be made in this regime.
Employing the equation of motion method for the Green's function, we have obtained the self-energy for the Hubbard model in the weak correlation limit up to the 2nd order in U, the on-site interaction strength. The quasi-particle spectral density of states is determined numerically, using the local approximation which is known to be exact for the infinite dimensional Hubbard model. Further, assuming a linear dispersion for the bare electronic spectra for the 1D Hubbard model, we have evaluated analytically the imaginary part of the self-energy, Im Sigma, near the Fermi energy (E(F)) and the renormalization coefficient at E(F), Z(F). It is found that the 1D Hubbard model system exhibits a non-Fermi liquid behavior within the 2nd order perturbational treatment.
We study the nonequilibrium transport properties of fully (exactly) screened Kondo quantum dots subject to a finite bias voltage or a finite temperature. First, we calculate the Fermi-liquid coefficients of the conductance for models with arbitrary spin, i.e., its leading behavior for small bias voltages or temperatures. Second, we determine the low-temperature behavior of the static susceptibility from the exactly known Bethe ansatz results for the magnetization. Third, we study the crossover from strong to weak coupling in the spin-1/2 and the spin-1 models coupled to one or two screening channels, respectively. Using a real-time renormalization group method we calculate the static and dynamical spin-spin correlation functions for the spin-1/2 model as well as the linear and differential conductance and the static susceptibility for the spin-1 model. We define various Kondo scales and discuss their relations. We assess the validity of the renormalization-group treatment by comparing with known results for the temperature dependence of the linear conductance and static susceptibility as well as the Fermi-liquid behavior at low energies.