Related papers: Effective bias and potentials in steady-state quan…
Energy transport can reveal information about interacting many-body systems beyond other transport probes. In particular, in one dimension it has been shown that the energy current is directly proportional to the central charge, thus…
We report an approach to obtain effective pair potentials which describe the structure of two-dimensional systems of active Brownian particles. The pair potential is found by an inverse method, which matches the radial distribution function…
Under certain conditions we prove the existence of a steady-state transport regime for interacting mesoscopic systems coupled to reservoirs (leads). The partitioning and partition-free scenarios are treated on an equal footing. Our…
We present the implementation of spinor quantum transport within the non-equilibrium Green's function (NEGF) code TranSIESTA based on Density Functional Theory (DFT). First-principles methods play an essential role in molecular and material…
We address the existence of steady state Green-Keldysh correlation functions of interacting fermions in mesoscopic systems for both the partitioning and partition-free scenarios. Under some spectral assumptions on the non-interacting model…
Transport properties of strongly correlated quantum systems are of central interest in condensed matter, ultracold atoms and in dense plasmas. There, the proper treatment of strong correlations poses a great challenge to theory. Here, we…
The interaction with time-dependent external fields, especially the interplay between time-dependent driving and quantum correlations, changes the familiar picture of electron transport through nanoscale systems. Although the exact solution…
Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…
In order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the…
We propose a simple scheme that describes accurately essential non-equilibrium effects in nanoscale electronics devices using equilibrium transport theory. The scheme, which is based on the alignment and dealignment of the junction…
The electrostatic gating effects on molecular transistors are investigated using the density functional theory (DFT) combined with the nonequilibrium Green's function (NEGF) method. When molecular energy levels are away from the Fermi…
A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation…
We study time-dependent quantum transport in a correlated model system by means of time-propagation of the Kadanoff-Baym equations for the nonequilibrium many-body Green function. We consider an initially contacted equilibrium system of a…
Current-density-functional theory is used to perturbatively calculate single-particle energies of open-shell atoms prepared in a current-carrying state. We focus on the highest occupied such energy, because its negative is, in principle,…
We analyze theoretically the charging current into, and the transport current through, a nanoscale two-dimensional electron system with two parallel quantum dots embedded in a short wire placed in a photon cavity. A plunger gate is used to…
We study steady state transport through a double quantum dot array using the equation-of-motion approach to the nonequilibrium Green functions formalism. This popular technique relies on uncontrolled approximations to obtain a closure for a…
A numerical approach is presented that allows to compute nonequilibrium steady state properties of strongly correlated quantum many-body systems. The method is imbedded in the Keldysh Green's function formalism and is based upon the idea of…
A recently proposed density functional approach for steady-state transport through nanoscale systems (called i-DFT) is used to investigate junctions which are asymmetrically coupled to the leads and biased with asymmetric voltage drops. In…
We develop a numerically exact scheme for resumming certain classes of Feynman diagrams in the self-consistent perturbation expansion for the electron and magnon self-energies in the nonequilibrium Green function formalism applied to a…
We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…