相关论文: Non-equilibrium transport with self-consistent ren…
In this work we investigate the effects of the electron-electron interaction between a molecular junction and the metallic leads in time-dependent quantum transport. We employ the recently developed embedded Kadanoff-Baym method [Phys. Rev.…
The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…
If a device like a graphene nanoribbon (GNR) has all its four corners attached to electric current leads, the device becomes a quantum junction through which two electrical circuits can interact. We study such system theoretically for…
We show, using a tight-binding model and time-dependent density-functional theory, that a quasi-steady state current can be established dynamically in a finite nanoscale junction without any inelastic effects. This is simply due to the…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…
We investigate equilibrium and steady-state non-equilibrium transport properties of a spinless resonant level locally coupled to two conduction bands of width ~\Gamma via a Coulomb interaction U and a hybridization t'. In order to study the…
A dynamical method for inelastic transport simulations in nanostructures is compared with a steady-state method based on non-equilibrium Green's functions. A simplified form of the dynamical method produces, in the steady state in the…
The quantum transport through nanoscale junctions is governed by the charging energy $U$ of the device. We employ the recently developed scattering-states numerical renormalization group approach to open quantum systems to study…
We calculate the nonequilibrium conductance through a molecule or a quantum dot in which the occupation of the relevant electronic level is coupled with intensity $\lambda$ to a phonon mode, and also to two conducting leads. The system is…
The spinless resonant level model is studied when it is coupled by hopping to one of the arbitrary number of conduction electron channels. The Coulomb interaction acts between the electron on the impurity and in the different channels. In…
We study inelastic electron tunneling through a molecular junction using the non-equilibrium Green function (NEGF) formalism. The effect of the mutual influence between the phonon and the electron subsystems on the electron tunneling…
We investigate the transient nonequilibrium dynamics of a molecular junction biased by a finite voltage and strongly coupled to internal vibrational degrees of freedom. Using two different, numerical exact techniques, diagrammatic Monte…
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based description of the central region of the junction combined with a tight binding…
In this work, a new theoretical approach to study the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. The proposed approach consists in a…
We study the tunneling transport through a nanojunction in the far-from-equilibrium regime at relatively low temperatures. We show that the current-voltage characteristics is significantly modified as compared to the usual quasi-equilibrium…
We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…
We have recently calculated exact non-equilibrium quantum transport properties through a point contact in a Luttinger liquid. Using a particular quasiparticle basis of the Hilbert space dictated by integrability, we here compute explicitly…
We report a first principles formalism and its numerical implementation for treating quantum transport properties of nanoelectronic devices with atomistic disorder. We developed a nonequilibrium vertex correction (NVC) theory to handle the…
We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…
Motivated by observation of very high tunnel magnetoresistance (TMR) in Fe-MgO-Fe magnetic tunnel junction devices, we propose a theoretical model for these devices based on a single-band tight-binding approximation. An effort is made to…