Related papers: Importance of quantum interference in molecular-sc…
Electron transport characteristics through molecular wires are studied by using the Green's function formalism. Parametric calculations are performed based on the tight-binding model to investigate the transport properties through the…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
Ballistic transport of electrons through a quantum wire with a constriction is studied in terms of Bohm's interpretation of quantum mechanics, in which the concept of a particle orbit is permitted. The classical bouncing ball trajectories,…
Quantum transport properties of electron systems driven by strong electric fields are studied by mapping the Landau-Zener transition dynamics to a quantum walk on a semi-infinite one-dimensional lattice with a reflecting boundary, where the…
Conventional information processors freely convert information between different physical carriers to process, store, or transmit information. It seems plausible that quantum information will also be held by different physical carriers in…
A new approach in the quantum theory of few-electron nanoelectronic devices -- the S-matrix approach -- is presented in a simple example: a single-electron transistor consisting of a single-level quantum dot connected with two metallic…
The effect on molecular transport due to chemical modification of the metal-molecule interface is investigated, using as an example the prototypical molecular device formed by attaching a p-disubstituted benzene molecule onto two gold…
We present studies of the electron transport and circular currents induced by the bias voltage and the magnetic flux threading a ring of three quantum dots coupled with two electrodes. Quantum interference of electron waves passing through…
It is proposed two models describing transport and absorbtion processes that occur in nanoscale fragments of electrical circuits, pulled adsorbed molecules, atomic or molecular chains connecting electrodes. Discrete chain model of a…
This review is devoted to the different techniques that have been developed to compute the phase-coherent transport properties of quantum nanoelectronic systems connected to electrodes. Beside a review of the different algorithms proposed…
We present the first in a series of microscopic studies of electrical transport through individual molecules with metallic contacts. We view the molecules as ``heterostructures'' composed of chemically well-defined atomic groups, and…
We discuss the effect of quantum interference on transport through a quantum dot system. We introduce an indirect coherent coupling parameter alpha, which provides constructive/destructive interference in the transport current depending on…
Theoretical foundations of electron transport in mesoscopic systems, based on Landauer theory, Master equations or Onsager linear thermodynamics, are revisited to show that the noniteracting electrons model is insufficient to describe…
We review the quantum interference effects in a system of interacting electrons confined to a quantum dot. The review starts with a description of an isolated quantum dot. We discuss the status of the Random Matrix theory (RMT) of the…
The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, \emph{e.g.}, the magnitude of the currents ($I$) or the…
We perform a brief but critical review of the Landauer picture of transport that clarifies how decoherence appears in this approach. On this basis, we present different models that allow the study of the coherent and decoherent effects of…
We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…
We consider the scattering matrix approach to quantum electron transport in meso- and nano-conductors. This approach is an alternative to the more conventional kinetic equation and Green's function approaches, and often is more efficient…
We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…
Unprecedented control over the manufacture of electronic devices on nanometer scale has allowed to perform highly controllable and fine-tuned experiments in the quantum regime where exotic effects can nowadays be measured. In quantum dot…