Related papers: Current rectification by simple molecular quantum …
We study current rectification effect in an asymmetric molecule HOOC-C$_6$H$_4$-(CH$_2$)$_n$ sandwiched between two Aluminum electrodes using an {\sl ab initio} nonequilibrium Green function method. The conductance of the system decreases…
A simple experimentally accessible realization of current rectification by molecules (molecular films) bridging metal electrodes is described. It is based on the spatial asymmetry of the molecule and requires only one resonant conducting…
Devices for nano- and molecular size electronics are currently a focus of research aimed at an efficient current rectification and switching. A few generic molecular scale devices are reviewed here on the basis of first-principles and model…
We demonstrate large rectification ratios (> 100) in single-molecule junctions based on a metal-oxide cluster (polyoxometalate), using a scanning tunneling microscope (STM) both at ambient conditions and at low temperature. These…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…
A minimal model for coherent transport through a donor/acceptor molecular junction is presented. The two donor and acceptor sites are described by single levels energetically separated by an intramolecular tunnel barrier. In the limit of…
Electrical current rectification is an interesting electronic feature, popularly known as a diode. Achieving a high rectification ratio in a molecular junction has been a long-standing goal in molecular electronics. The present work…
We demonstrate a molecular rectifying junction made from a sequential self-assembly on silicon. The device structure consists of only one conjugated (p) group and an alkyl spacer chain. We obtain rectification ratios up to 37 and threshold…
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 full ab initio description of the central region of the junction combined with a tight…
The concept of utilizing a molecule bridged between two electrodes as a stable rectifying device with the possibility of commercialization is a "holy grail" of molecular electronics. Molecular rectifiers do not only exploit the electronic…
Spin-split superconductors exhibit an electron-hole asymmetric spin-resolved density of states, but the symmetry is restored upon averaging over spin. On the other hand, asymmetry appears again in tunneling junctions of spin-split…
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…
We derive a formula describing the adiabatically pumped charge through an interacting quantum dot within the scattering matrix and Green's function approach. We show that when the tunneling rates between the leads and the dot are varied…
The concept of single molecule rectifiers proposed in a theoretical work by Aviram and Ratner in 1974 was the starting point of the now vibrant field of molecular electronics. In the meantime, a built-in asymmetry in the conductance of…
The current-voltage characteristics in Langmuir-Blodgett monolayers of \gamma-hexadecylquinolinium tricyanoquinodimethanide (C16H33Q-3CNQ) sandwiched between Al or Au electrodes is calculated, combining ab initio and self-consistent tight…
We report transport properties and particle current rectification operation in a double-stranded tight-binding ladder network within non-equilibrium Green's function (NEGF) formalism that can easily be generalized in multi-stranded systems.…
Quasicrystals have been the subject of intense research in the discipline of condensed matter physics due to their non-trivial characteristic features. In the present work we put forward a new prescription to realize both charge and spin…
One of the missing elements for realising an integrated optical circuit is a rectifying device playing the role of an optical diode. A proposal based on a pair of two-level atoms strongly coupled to a one-dimenisonal waveguide showed a…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
Bipolar nanochannels comprising two domains of positively and negatively charged walls along the pore axis are known to rectify current when exposed to an electric potential bias. We find that addition of charged nanoparticles can increase…