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Physical review. B, Condensed matter

Linearized quantum transport equations: ac conductance of a quantum wire with an electron-phonon interaction

Petr Král

Published Apr 15, 1996• 16 citations
Publisher

Abstract

A linear response formalism is developed for evaluation of transport coefficients in quantum many-particle systems. The method is based on a systematic linearization of nonequilibrium Kadanoff-Baym transport equations in an integral form in ac electric fields. Simple and consistent approximations can be performed in the resulting set of transport equations, which replace vertex equations in the Kubo formalism. The method is illustrated by the example of an ac and dc conductivity and conductance for a quasi-one-dimensional electron system with an electron--phonon interaction for three-dimensional acoustical phonons. After approximations standard in metals, the solved transport equations coincide with the Holstein equation. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevb.53.11034

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A linear response formalism is developed for evaluation of transport coefficients in quantum many-particle systems. The method is based on a systematic linearization of nonequilibrium Kadanoff-Baym transport equations in an integral form in ac electric fields. Simple and consistent approximations can be performed in the resulting set of transport equations, which replace vertex equations in the Kubo formalism. The method is illustrated by the example of an ac and dc conductivity and conductance for a quasi-one-dimensional electron system with an electron--phonon interaction for three-dimensional acoustical phonons. After approximations standard in metals, the solved transport equations coincide with the Holstein equation. \textcopyright{} 1996 The American Physical Society.
We analyze transport in a uniform electric field of arbitrary strength by using a gauge-invariant formulation of the Airy representation of the Baym-Kadanoff-Keldysh theory of nonequilibrium quantum statistical mechanics. For a model electron-phonon interaction, experimentally relevant quantities can be extracted from a function of one variable; this function obeys a linear homogeneous integral equation. The quantum distribution function and the nonlinear drift velocity versus applied field characteristics are evaluated numerically. Many features of our nonlinear theory bear a formal resemblance to linear-response theory.
Interesting discoveries have recently been made in the area of solid state physics and nano technology regarding electronic systems that are confined to reduced spatial dimensions. Under these circumstances the quantum nature of the electrons begins to surface. In the one-dimensional case this class of systems is therefore called quantum- or nano wires. The conductance in such quantum wires becomes quantized and is dominated by electronic correlations. The goal of this thesis was to develop a fast and efficient procedure to describe a realistic transport measurement for such systems. The method presented here is in- spired by the work of Dan Bohr et al. who used the Density Matrix Renormalization Group algorithm(DMRG) to evaluate the Kubo formula for the linear response to an applied potential. In a similar way the procedure of this thesis also computes the Kubo formula using the dynamical DMRG in order to calculate the low frequency response to an AC source-drain voltage of finite systems. Making use of a special finite size scaling allows to extrapolate the results into the thermodynamic limit and to finally obtain the linear DC-conductance. First, the theoretical framework for the new method was developed. This was fol- lowed by testing the new approach in different model systems. The first model com- prised of a tight-binding chain that was filled with spinless, noninteracting fermions. In subsequent steps the model was expanded by introducing a homogeneous in- teraction in the Luttinger liquid regime followed by inhomogeneous interaction for different chain sections. The potential impact of impurities was assessed in the above models. Lastly, the two cases of the Hubbard chain of spin- 2 1 electrons and of the Holstein model in one dimension, where Einstein phonons interact with spinless fermions, were studied. The results of the proposed method are consistent with Luttinger liquid and Lan- dauer scattering theory. In the Luttinger liquid regime the influence of phonons to the charge structure factor was confirmed. A dependency on the length of the quantum wire in the form of dissipation effects for the conductance was not observed.
We describe microscopic theory for the quantum transport through finite interacting systems connected to noninteracting leads. It can be applied to small systems such as quantum dots, quantum wires, atomic chain, molecule, and so forth. The Keldysh formalism is introduced to study the nonlinear current-voltage characteristics, and general properties of the nonequilibrium Green's functions are provided. We apply the formulated to an out-of-equilibrium Anderson model that has been used widely for the Kondo effect in quantum dots. In the linear-response regime the Kubo formalism still has an advantage, because it relates the transport coefficients directly to the correlation functions defined with respect to the thermal equilibrium, and it has no ambiguities about a profile of the inner electric field. We introduce a many-body transmission coefficient, by which the dc conductance can be expressed in a Landauer-type form, quite generally. We also discuss transport properties of the Tomonaga-Luttinger liquid, which has also been an active field of research in this decade.
The many-body linear response expressions obtained in previous papers [J. Math. Phys. 19, 1345 (1978); 20, 2573 (1979)] are applied to systems of weakly interacting particles. General expressions for the susceptibility and conductivity in such systems are obtained. The diagonal parts depend on the scattering processes, for which we consider interactions with bosons with mass and electron-phonon interaction. For elastic collisions simple closed forms result. For general two-body collisions, the closed expressions are cumbersome, except when the current is due to collisional current through localized states, such as Landau orbits; in that event a generalized Adams-Holstein result is obtained. The nondiagonal electrical conductivity is shown to be of paramount importance for the quantum mechanical Hall effect. We also derive quantum mechanical Boltzmann equations, both for the diagonal occupancy operator 〈nζ〉t and for the nondiagonal operator 〈c+ζ′ cζ\〉t. The total Boltzmann equation is shown to be fully equivalent with the linear response results. Finally, in the last part we derive the Boltzmann equation for the Wigner function of inhomogeneous systems. In the classical limit this yields the usual Boltzmann transport equation. This equation has therefore been obtained by first principles from the von Neumann equation.
A systematic and unambiguous method of deriving generalized transport equations, i.e., equations for distribution functions having a single-time structure, on the basis of the nonequilibrium Green function is obtained, if the common Kadanoff-Baym (KB) ansatz is replaced by a modification which we call the generalized KB ansatz. This new ansatz is fully consistent with the dynamical structure of the theory and is independent of any specific representation. The resulting equations appear to be the zeroth-order approximation of a systematic expansion in terms of the collision duration. In the case of the electron transport in a strong homogeneous electric field, the generalized ansatz is shown to be in agreement with the superoperator methods, whereas the KB ansatz is known to fail in this case.