Related papers: Electron Transmission through Modified Benzene
Combining density functional theory calculations for molecular electronic structure with a Green function method for electron transport, we calculate from first principles the molecular conductance of benzene connected to two Au leads…
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…
The conductance of ballistic graphene at the neutrality point is due to coherent electron tunneling between the leads, the so called pseudodiffusive regime. The conductance scales as function of the sample dimensions in the same way as in a…
A path integral approach has been generalized for the non-relativistic electron charge transfer processes. The charge transfer - the capture of an electron by an ion passing another atom or more generally the problem of rearrangement…
Using the transfer matrix technique, we investigate the propagation of electron through a two dimensional disordered sample. We find that the spatial distribution of electrons is homogeneous only in the limit of weak disorder (diffusive…
The transmission of two electrons through a region where they interact is found to be enhanced by a renormalization of the repulsive interaction. For a specific example of the single-particle Hamiltonian, which includes a strongly…
It is difficult to completely eliminate disorder during the fabrication of graphene-based nanodevices. From a simulation perspective, it is straightforward to determine the electronic transport properties of disordered devices if complete…
We explore the quantum transmission through open oval shaped quantum dots. The transmission spectra show periodic resonances and, depending on the geometry parameter, a strong suppression of the transmission for low energies. Applying a…
When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…
Transport through a one-dimensional wire of interacting electrons connected to semi infinite leads is investigated using a bosonization approach. The dynamic nonlocal conductivity is rigorously expressed in terms of the transmission. For…
We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…
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…
In this work we report on a detailed analysis of the propagation of high energy electron beams having different shapes in a model system, namely [100] oriented zincblende GaN crystal. The analyses are based on the comparison between a…
Bridging the difference in atomic structure between experiments and theoretical calculations and exploring quantum confinement effects in thin electrodes (leads) are both important issues in molecular electronics. To address these issues,…
Modelling the ionic transport in battery cells requires precise parametrization of the involved electrolytes. For carbonate-based electrolytes, however, the evaluation of their parameters suffers from interphase effects between the bulk…
Using a Green's function formalism we derive analytical expressions for the electronic transmittance through a benzene ring. To motivate the approach we first solve the resonant level system and then extend the method to the benzene case.…
At low values of external doping graphene displays a wealth of unconventional transport properties. Perhaps most strikingly, it supports a robust 'metallic' regime, with universal conductance of the order of the conductance quantum. We here…
An electron teleportation protocol, inspired by the scenario by Bennett et al., is proposed in a mesoscopic set-up. A superconducting circuit allows to both inject and measure entangled singlet electron pairs in an array of three normal…
The transport through a quantum-scale device may be characterized by the transmission eigenvalues. These values constitute a junction PIN code where, for example, in single-atom metallic contacts the number of transmission channels is also…
Recently, there has been a revival of interest in mechanisms for changing the spin polarization of an electron beam on transmission through, or reflection from, a magnetic surface. An understanding of these mechanisms would allow the use of…