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Journal de Physique I

Determinantal quantum theory of d.c. electrical conductivity

André Fortini

Published May 1, 1992• 0 citations
Publisher

Abstract

\nthe quantum calculation of the d.c. electrical conductivity for an electron system is reconsidered by using an improved form of the long-time solution of the density matrix. The starting time-evolution equation which is written as a linear system in the Liouville space of discrete quantum states, is first solved in terms of Cramer's determinants and next suitably adapted to tranport problems. The calculation of the statistical average of the many-body current density, in the presence of scattering potential, is carried out in the thermodynamic limit, using a characteristic property of collision matrices introduced earlier by van Hove as the so-called $\\delta$-singularity. In contrast to previous methods based on kinetic equations solved by perturbations, Kubo's theory, or Mori type memory functions, the resolution of an integral equation, initially included in Cramer's formulae, is no longer required. Among its major advantages, the method succeeds in overcoming the well known zero frequency divergent behaviour of the conductivity. It also yields an explicit expression of an effective relaxation time which is just constructed out of those diagonal transition sequences responsible for self-energy effects in van Hove's theory. This expression which only assumes the randomization of phases of initial states can be used to get tractable expansions in powers of the collision potential. Its range of validity is limited by the effect of collisions on equilibrium statistics, which is shown to be negligible within the Peierls criterion, $\\hbar / \\tau \\ll \\mu$, $\\tau$ being the relaxation time and $\\mu$ the Fermi energy. Finally, the comparison of the present approach with the elementary transport theory reveals that the relaxation time is close to the standard expression, even though the latter would be exactly recovered, in lowest order of collisions, only on disregarding divergent terms arising beyond second order.\n

DOI
10.1051/jp1:1992170

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\nthe quantum calculation of the d.c. electrical conductivity for an electron system is reconsidered by using an improved form of the long-time solution of the density matrix. The starting time-evolution equation which is written as a linear system in the Liouville space of discrete quantum states, is first solved in terms of Cramer's determinants and next suitably adapted to tranport problems. The calculation of the statistical average of the many-body current density, in the presence of scattering potential, is carried out in the thermodynamic limit, using a characteristic property of collision matrices introduced earlier by van Hove as the so-called delta\\deltadelta-singularity. In contrast to previous methods based on kinetic equations solved by perturbations, Kubo's theory, or Mori type memory functions, the resolution of an integral equation, initially included in Cramer's formulae, is no longer required. Among its major advantages, the method succeeds in overcoming the well known zero frequency divergent behaviour of the conductivity. It also yields an explicit expression of an effective relaxation time which is just constructed out of those diagonal transition sequences responsible for self-energy effects in van Hove's theory. This expression which only assumes the randomization of phases of initial states can be used to get tractable expansions in powers of the collision potential. Its range of validity is limited by the effect of collisions on equilibrium statistics, which is shown to be negligible within the Peierls criterion, hbar/taullmu\\hbar / \\tau \\ll \\muhbar/taullmu, tau\\tautau being the relaxation time and mu\\mumu the Fermi energy. Finally, the comparison of the present approach with the elementary transport theory reveals that the relaxation time is close to the standard expression, even though the latter would be exactly recovered, in lowest order of collisions, only on disregarding divergent terms arising beyond second order.\n
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.
The Kubo formula for the electrical conductivity is rewritten in terms of a sum of Drude-like contributions associated to the exact eigenstates of the interacting system, each characterized by its own frequency-dependent relaxation time. The structure of the novel and equivalent formulation, weighting the contribution from each eigenstate by its Boltzmann occupation factor, simplifies considerably the access to the static properties (dc conductivity) and resolves the long standing difficulties to recover the Boltzmann result for dc conductivity from the Kubo formula. It is shown that the Boltzmann result, containing the correct transport scattering time instead of the electron lifetime determined by the Green function, can be recovered in problems with elastic and inelastic scattering at the lowest order of interaction.
Taking the viewpoint that a complete solution of the Liouville equation contains much more information than is necessary in response theory (wherein one is concerned with a particular response), projection techniques are employed to introduce a shortcut in the problem. The treatment supplements and completes the formalism initiated in a previous publication and yields a general equation which is more relevant to response theory in the usual sense. The most natural application is to the theory of transport. The general transport equation is analyzed in the context of electrical conduction. Meaningful similarities to the simple classical Drude model of conduction are exhibited; the relationship of this exact formalism to the Kubo theory of linear response is shown, an exact solution for a step-function stimulus and approximation procedures which go beyond the linear regime are presented, and an expression for the electrical resistivity is explicitly calculated thus making contact with an earlier paper by Kenkre and Dresden. The response equation is also analyzed in the context of electric and magnetic polarization.
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.
The determinantal formalism previously built up in the evolution operator problem is extended to the density matrix equation in the case, here, of a Heaviside step external perturbation, and in the presence of internal collision potential. Reduced determinantal forms, matched to those first derived for the evolution operator, are obtained and compared with both the iterative expansion and the initial Fredholm-Laplace solution. They not only exhibit the multiple transition structure of the physical response, along with the associated transition width upon expansion, but also the trace conservation requirement is shown to be satisfied at any order and all times. An illustration is given in a simplified physical system.