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arXiv:1106.3207 · Physical Review E

Nonequilibrium density-matrix description of steady-state quantum transport

Abhishek Dhar, Keiji Saito, Peter Hänggi A

Published Jan 18, 2012• 86 citations
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Abstract

With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the explicit result for the reduced density matrix of quantum transport when the system, the connecting reservoirs, and the system-reservoir interactions are described by quadratic Hamiltonians. Our procedure is detailed for both electronic transport described by the tight-binding Hamiltonian and for phonon transport described by harmonic Hamiltonians. For the special case of weak system-reservoir couplings, a more detailed description of the steady-state density matrix is obtained. Several paradigm transport setups for interelectrode electron transport and low-dimensional phonon heat flux are elucidated.

DOI
10.1103/physreve.85.011126

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With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the explicit result for the reduced density matrix of quantum transport when the system, the connecting reservoirs, and the system-reservoir interactions are described by quadratic Hamiltonians. Our procedure is detailed for both electronic transport described by the tight-binding Hamiltonian and for phonon transport described by harmonic Hamiltonians. For the special case of weak system-reservoir couplings, a more detailed description of the steady-state density matrix is obtained. Several paradigm transport setups for interelectrode electron transport and low-dimensional phonon heat flux are elucidated.
We suggest a generalization of the expression of the nonequilibrium (NE) density matrix obtained by Hershfield's method for the cases where both heat and charge steady-state currents are present in a quantum open system. The finite-size quantum system, connected to two temperature and particle reservoirs, is driven out of equilibrium by the presence of both a temperature gradient and a chemical potential gradient between the two reservoirs. We show that the NE density matrix is given by a generalized Gibbs-like ensemble and is in full agreement with the general results of the McLennan-Zubarev nonequilibrium ensembles. The extra nonequilibrium terms are related to the entropy production in the system and characterize the fluxes of heat and particle. An explicit example, for the lowest-order expansion, is provide for a model system of noninteracting fermions.
We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use superoperator techniques in Liouville–Fock space and represent the nonequilibrium density matrix as a linear combination of all possible nonequilibrium quasiparticle excitations built on the appropriate reference state. As an example we consider the electron transport through the system with electron–phonon interaction. The concept of embedding (buffer zones between the reservoirs and the correlated quantum system) is used to derive an exact master equation for the reduced density matrix. Using approximate (truncated) expansion of the trial density matrix we obtain the linear system of equations for two-quasiparticle amplitudes. Then we compute the steady-state current and compare the result with other approaches. The current conserving property of the method is proven.
We aim to bridge the gap between quantum coherence, quantum correlations, and nonequilibrium quantum transport in a quantum double-dot (QDD) system interacting with fermionic reservoirs. The system-reservoir coupling is modeled using a Fano-Anderson-type Hamiltonian. The density operator elements of the QDD system are expressed in terms of expectation values involving various combinations of the fermionic creation and annihilation operators associated with the system. By utilizing the quantum Langevin equation and the Heisenberg equation of motion, we derive the precise temporal behavior of these operator averages in terms of nonequilibrium Green's functions and subsequently obtain the time evolution of the density operator elements. Our approach is valid in both the strong coupling and non-Markovian regimes. Additionally, we examine the time evolution of quantum coherence in the QDD system, quantifying it using standard measures such as the l1-norm and the relative entropy of coherence. As observed, coherence reaches a non-zero steady-state value, highlighting its significant potential for applications in quantum information processing and quantum technologies. Furthermore, we establish a connection between quantum coherence and transport current in a QDD system serially coupled to fermionic reservoirs. We then investigate the effects of coupling strength and reservoir memory by tuning the finite spectral width of the reservoir, examining their impact on both transient and steady-state properties, such as quantum coherence and particle current, which could play a crucial role in ultrafast nanodevice applications.
We study the nonequilibrium steady state (NESS) in a quantum system in contact with two heat baths at different temperatures. We use a time-independent perturbative expansion with respect to the coupling with the two heat baths to obtain the density matrix for the NESS. In particular, we show an explicit representation of the density matrix for the reflection symmetric and weakly nonequilibrium case. We also calculate the expectation value of the energy current and show that the Kubo formula holds in this case.
In these notes I explain how to describe one-dimensional quantum systems that are simultaneously near to, but not exactly at, a critical point, and in a far-from-equilibrium steady state. This description uses a density matrix on scattering states (of the type of Hershfield's density matrix), or equivalently a Gibbs-like ensemble of scattering states. The steady state I am considering is one where there is a steady flow of energy along the chain, coming from the steady draining / filling of two far-away reservoirs put at different temperatures. The context I am using is that of massive relativistic quantum field theory, which is the framework for describing the region near quantum critical points in any universality class with translation invariance and with dynamical exponent z equal to 1. I show, in this completely general setup, that a particular steady-state density matrix occurs naturally from the physically motivated Keldysh formulation of the steady state. In this formulation the steady state occurs as a result of a large-time evolution from an initial state where two halves of the system are separately thermalized. I also show how this suggests a particular dependence (a "factorization") of the average current on the left and right temperatures. The idea of this density matrix was proposed already in a recent publication with my collaborator Denis Bernard, where we studied it in the context of conformal field theory.
We consider the generic model of a finite-size quantum electron system connected to two (temperature and particle) reservoirs. The quantum open system is driven out of equilibrium by the presence of both potential temperature and chemical differences between the two reservoirs. The nonequilibrium (NE) thermodynamical properties of such a quantum open system are studied for the steady state regime. In such a regime, the corresponding NE density matrix is built on the so-called generalised Gibbs ensembles. From different expressions of the NE density matrix, we can identify the terms related to the entropy production in the system. We show, for a simple model, that the entropy production rate is always a positive quantity. Alternative expressions for the entropy production are also obtained from the Gibbs–von Neumann conventional formula and discussed in detail. Our results corroborate and expand earlier works found in the literature.