Related papers: Inelastic current-voltage characteristics of atomi…
Currently, molecular tunnel junctions are recognized as important active elements of various nanodevices. This gives a strong motivation to study physical mechanisms controlling electron transport through molecules. Electron motion through…
We investigate electronic transport through two types of conjugated molecules. Mechanically controlled break-junctions are used to couple thiol endgroups of single molecules to two gold electrodes. Current-voltage characteristics (IVs) of…
The simplicity of single-molecule junctions based on direct bonding of a small molecule between two metallic electrodes make them an ideal system for the study of fundamental questions related to molecular electronics. Here we study the…
A model for the current-voltage characteristic of the junction between an Ion-Sensitive-Membrane and an electrolyte solution is derived and compared with numerical simulations of the Poisson-Nernst-Planck model for ion transport. The…
We present first principles calculations of current-voltage characteristics (IVC) and conductance of Au(111):S2-cumulene-S2:Au(111) molecular wire junctions with realistic contacts. The transport properties are calculated using full…
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…
We present a theoretical study of the transport properties of magnetic point contacts under bias. Our calculations are based on the Keldish's non-equilibrium Green's function formalism combined with a self-consistent empirical tight-binding…
In noncentrosymmetric crystals with broken inversion symmetry $\mathcal{I}$, the $I-V$ ($I$: current, $V$: voltage) characteristic is generally expected to depend on the direction of $I$, which is known as nonreciprocal response and, for…
A detailed computational analysis has been performed, considering copper atomic contacts that are exposed directly to water molecules, hydroxyl groups, and monatomic as well as molecular hydrogen and oxygen species. The optimized physical…
We have carried out calculations of electron transport through a metal-molecule-metal junction with metal nanoclusters taking the part of electrodes. We show that negative differential resistance peaks could appear in the current-voltage…
We have synthesized Ga-doped Cr2O3 system with compositions Cr1.45Ga0.55O3 and Cr1.17Ga0.83O3 by chemical co-precipitation route and post annealing at 800^C. The samples have been stabilized in rhombohedral crystal structure with space…
We examine theoretically the effects of the bonding geometries at the gold-thiol interfaces on the inelastic tunneling spectra of propanedithiolate (PDT) molecules bridging gold electrodes and show that inelastic tunneling spectroscopy…
Several aspects of intermolecular effects in molecular conduction have been studied in recent years. These experimental and theoretical studies, made on several setups of molecular conduction junctions, have focused on the current-voltage…
The current-voltage characteristics through a metallic quantum dot which is well coupled to a metallic lead are measured. It is shown that the I-V curves are composed of two contributions. One is a suppression of the tunneling conductivity…
In this work we consider a current carrying molecular junction with both electron-phonon and electron-electron interactions taken into account. After performing Lang-Firsov transformation and considering Markov approximations in accordance…
The current-voltage p-n junction characteristics were mainly analyzed until now at low injection levels and high level injection separately. This work unifies the low injection, medium injection, high injection levels and the ohmic region…
We study inelastic effects on the electronic current noise in molecular junctions, due to the coupling between transport electrons and vibrational degrees of freedom. Using a full counting statistics approach based on the generalized…
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 present a multiscale simulation framework to compute the current vs. voltage (I-V ) characteristics of metal/oxide/metal structures building the core of conductive bridging random access memory (CBRAM) cells and to shed light on their…
The current-voltage characteristics (IVC) of $S-c-N$ point contacts of superconductors with a small coherence length ${{\xi}_{0}}$ reveal steps with discrete values of the differential resistance. This peculiarity is associated with a…