Related papers: Improved master equation approach to quantum trans…
We investigate to which extent a many-body Bloch-Redfield master equation description of quantum transport is consistent with the exact generalized equilibrium conditions known as exchange fluctuation theorems. Thereby we identify a class…
Density functional theory calculations of electronic transport based on local exchange and correlation functionals contain self-interaction errors. These originate from the interaction of an electron with the potential generated by itself…
We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…
We introduce an architecture for variational quantum algorithms that can be efficiently trained via parameter updates along exact geodesics on the Riemannian state manifold. This features a parameter-optimal circuit ansatz which supersedes…
The problem of non-linear transport near a quantum phase transition is solved within the Landau theory for the dissipative insulator-superconductor phase transition in two dimensions. Using the non-equilibrium Schwinger round-trip Green…
The infinite-U Anderson model is applied to transport through a quantum dot. The current and density of states are obtained via the non-crossing approximation for two spin-degenerate levels weakly coupled to two leads. At low temperatures,…
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
Coupling the vibrations of an oscillator to electronic transport is a key building block for nanoelectromechanical systems. They describe many nanoscale electrical components such as molecular junctions. Inspired by recent experimental…
Using non-equilibrium Green's functions, we derive a formula for the electron current through a lead-molecule-lead nanojunction where the interactions are not restricted to the central region, but are spread throughout the system, including…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…
Within a phonon-assisted resonance level model we develop a self-consistent procedure for calculating electron transport currents in molecular junctions with intermediate to strong electron-phonon interaction. The scheme takes into account…
The nonequilibrium Green's function formalism provides a versatile and powerful framework for numerical studies of nonequilibrium phenomena in correlated many-body systems. For calculations starting from an equilibrium initial state, a…
We have investigated the dynamics of bound particles in multilevel current-carrying quantum dots. We look specifically in the regime of resonant tunnelling transport, where several channels are available for transport. Through a…
In this paper the transmittance through a quantum wire connected with two electron reservoirs is calculated and non-trivial transformation between the evolution operator method and the Green's function technique is reported. To show this…
The nonlinear conductance of semiconductor heterostructures and single molecule devices exhibiting Kondo physics has recently attracted attention. We address the observed sample dependence of the measured steady state transport coefficients…
Weak spin-orbit coupling produces very limited current induced spin accumulation in semiconductor nanostructures. We demonstrate a possibility to increase parametrically the spin polarization using the Kondo effect. As a model object we…
We present a microscopic theory for both equilibrium and nonequilibrium transport properties of coupled double quantum dots (DQD). A general formula for current tunneling through the DQD is derived by the nonequilibrium Green's function…
A fourth-order Schr\"{o}dinger equation for the description of charge transport in semiconductors in the ballistic regime is proposed with the inclusion of non-parabolic effects in the dispersion relation in order to go beyond the simple…
We explore electron transport through a quantum dot coupled to the source and drain charge reservoirs We trace the transition from the Coulomb blockade regime to Kondo regime in the electron transport through the dot occuring when we…