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arXiv:cond-mat/9705084

Quantum Scattering Theoretical Description of Thermodynamical Transport Phenomena

Tooru Taniguchi

Published May 9, 1997• 0 citations
arXivHTMLPDF

Abstract

We give a method of describing thermodynamical transport phenomena, based on a quantum scattering theoretical approach. We consider a quantum system of particles connected to thermodynamical reservoirs by leads. The effects of the reservoirs are imposed as an asymptotic condition at the end of the leads. We derive an expression for a current of a conserved quantity, which is independent of the details of the Hamiltonian operator. The Landauer formula and its generalizations are derived from this method.

DOI
10.48550/arxiv.cond-mat/9705084

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We give a method of describing thermodynamical transport phenomena, based on a quantum scattering theoretical approach. We consider a quantum system of particles connected to thermodynamical reservoirs by leads. The effects of the reservoirs are imposed as an asymptotic condition at the end of the leads. We derive an expression for a current of a conserved quantity, which is independent of the details of the Hamiltonian operator. The Landauer formula and its generalizations are derived from this method.
We formulate a stochastic description of entropy production in scattering theory for coherent transport. We distinguish between the information entropy change due to partial knowledge of the leads' state and the thermodynamic entropy change due to the equilibration of each lead with its bath. By employing a two-point measurement scheme, we access the stochastic entropy production at these different stages of the process, as well as the statistics of generic transport quantities. When restricted to particle or energy transport, our approach reproduces the Landauer-Büttiker formulas. The possibility to consider more general quantities such as the entropy currents and their fluctuations, provides a systematic connection between stochastic thermodynamics and coherent transport.
We consider the electron transport properties through fully interacting nanoscale junctions beyond the linear-response regime. We calculate the current flowing through an interacting region connected to two interacting leads, with interaction crossing at the left and right contacts, by using a non-equilibrium Green function technique. The total current at one interface (the left one for example) is made of several terms which can be regrouped into two sets. The first set corresponds to a very generalized Landauer-like current formula with physical quantities defined only in the interacting central region and with renormalized lead self-energies. The second set characterizes inelastic scattering events occurring in the left lead. We show how this term can be negligible or even vanish due to the pseudo-equilibrium statistical properties of the lead in the thermodynamic limit. The expressions for the different Green functions needed for practical calculations of the current are also provided. We determine the constraints imposed by the physical condition of current conservation. The corresponding equation imposed on the different self-energy quantities arising from the current conservation is derived. We discuss in detail its physical interpretation and its relation with previously derived expressions. Finally several important key features are discussed in relation to the implementation of our formalism for calculations of quantum transport in realistic systems.
Using the formalism of Ford-Kac-Mazur we study nonequilibrium transport in fermionic systems connected to general particle and thermal reservoirs. Several exact results on electrical and thermal transport in one-dimensional disordered non-interacting fermionic wires are obtained. Landauer’s formula is shown to follow for a special choice of reservoirs. For general reservoirs the currents in the system depend on the spectral properties of the reservoirs and Landauer’s formula needs modification. Some experimental implications are discussed.
The study of electrical currents in a regime where a description as a continuous flow fails and the particle nature becomes important, but where notions such as particle density or currents continue to be meaningful, will be at the heart of the present dissertation. Given such a mesoscopic system through which electrons flow, either actively through quantum pumping or passively due to a potential difference, we investigate quantities such as transferred charge, noise, current fluctuations, and relations between them. More generally we shall examine the statistics of particle transport. All discussions will concentrate on compact devices transferring charge between two one-dimensional reservoirs (the leads) of independent electrons. Firstly, we consider the generating function of the moments of transferred charge and we prove that it is given by the determinant of a single-particle operator. It is formally equivalent to a formula of Lesovik and Levitov, but is shown to be well-defined in the situations under consideration, whereas the former is not, in general. The mechanism leading to regularization is typical for mesoscopic systems: we consider a limiting case that reveals the fundamental structure of the problem. In fact, as suited for an open system, the leads contain an infinite number of charges. It follows mathematically that the second quantization ought to be carried out upon the Fermi sea and not upon the vacuum, a procedure known as the GNS construction. We shall rely heavily on operator algebraic techniques. The set of observables, the C*-algebra of canonical anticommutation relations, admits different representations for systems in the thermodynamic limit, which are described by their reduced one-particle density matrix. An important question will be the existence of operators such as the charge or the time evolution in a given representation, which induce so-called Bogoliubov transformations. These prerequisites at hand, we shall pose the problem of counting statistics clearly, prove that the regularized determinant emerges naturally, and show that it describes the transport of integer charges with non-negative probabilities. Secondly, we introduce a model of instantaneous scattering in which various examples can be computed explicitely. In particular, we show that the above theorem applies for scattering through a smoothly operating pump over a finite time interval. We also exhibit situations where the propagator does exist but the generating function is ambiguous. In a more computational approach, we then turn to the relation of individual moments of transferred charge to current correlators. It turns out that the former can indeed be expressed as integrals of the latter over time, provided the current operators are ordered according to Matthews’ T∗ ordering. It is given by first arranging the charge operators according to their time indices, and only then taking the time derivatives, which induce contact terms whose singular support lies along time coincidences. We shall give two derivations of this result, because the first one is transparent, and the second one is related to contradictory computations in the literature where the system is considered to be measured by an external spin. In the model of constant instantaneous scattering, we then argue from the Lesovik-Levitov determinant that the transport can be interpreted in terms of a binomial process in the long time limit. In a parallel computation, we concentrate on the third cumulant as defined by integration of current correlators and show how the contact terms of the T∗ ordering play an essential role in providing the expected binomial result, too. To close this thesis, we suggest an algebraic framework that lays the foundations for a rigorous discussion of the Casimir effect. The problem of infinites arising in the comparison of two physical situations for a bosonic field is interpreted as the non-equivalence of states on the algebra of canonical commutation relations. We exhibit sufficient conditions on the one-particle Hamiltonians which ensure that the Casimir energy is finite and give an expression for it. We discuss its formal equivalence with the result obtained from the standard mode summing method.
This review presents a thermodynamic perspective on quantum coupled transport processes in nanoscale systems. Our analysis is formulated within the framework of entropy production rate, the central quantity governing non-equilibrium processes and expressed through conjugate force-flux pairs. Although thermodynamic laws are universal across classical and quantum domains, the discussion is developed within a microscopic open quantum system framework, focusing on quantum dots (QDs) coupled to electronic reservoirs. We first examine elementary single transport processes and highlight their strong thermodynamic constraints in the near-equilibrium regime. This motivates the study of coupled transport, where multiple force-flux pairs coexist and interact, leading to richer thermodynamic behaviour. Using entropy production as the guiding principle, we analyse coupled energy and particle transport in a minimal two-terminal single-QD setup and show how conventional thermoelectric phenomena, including Seebeck and Peltier effects as well as thermoelectric heat engines and refrigerators, naturally emerge as thermodynamic cross-effects. We then extend the framework to a three-terminal coupled quantum dot (CQD) geometry, which provides a versatile platform for studying coupled transport and reduces, under suitable constraints, to the well-known Sánchez-Büttiker configuration. Beyond standard cross-effects, we discuss the phenomenon of inverse currents in coupled transport (ICC), where a current flows against mutually parallel thermodynamic forces without violating the second law. We show that ICC requires breaking the symmetry between energy and particle transport and identify the conditions for its realization in coupled quantum-dot systems with attractive interdot interactions.