Related papers: Negative differential resistance in molecular junc…
We investigate electrical conduction through individual oligopeptide molecules thiol-bonded between gold nanocontacts using ab initio and semi-empirical techniques. Our theory explains for the first time these molecules' experimentally…
We present a theoretical study of the conductance of atomic junctions comprising single noble gas atoms (He, Ne, Ar, Kr, and Xe) coupled to gold electrodes. The aim is to elucidate how the presence of noble gas atoms affects the electronic…
Transport through a single molecular conductor is considered, showing negative differential conductance behavior associated with phonon-mediated electron tunneling processes. This theoretical work is motivated by a recent experiment by…
We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
We investigate transport properties of molecular junctions under two types of bias--a short time pulse or an AC bias--by combining a solution for the Green functions in the time domain with electronic structure information coming from ab…
Ab initio calculations of the electronic energy loss of ions moving in aluminum crystal are presented, within linear-response theory, from a realistic description of the one-electron band-structure and a full treatment of the dynamical…
Using numerical modeling we study emergence of structure and structure-related nonlinear conduction properties in the self-assembled nanoparticle films. Particularly, we show how different nanoparticle networks emerge within assembly…
We investigate the impact of edge roughness on the electrical transport properties of magnetic tunnel junctions using non-equilibrium Greens function formalism. We have modeled edge roughness as a stochastic variation in the cross-sectional…
An oscillatory dependence of the drain current on the drain voltage is found in a nanostructure consisting of two crossing semiconductor carbon nanotubes that are suspended over a dielectric trench, which is backed by a doped silicon…
Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical…
Josephson junction systems with a negative differential resistance play an essential role for applications. As a well known example, long Josephson junctions of the BSCCO type have been considered as a source of THz radiation in recent…
We report on a first-principles study of the conductance through graphene suspended between Al contacts as a function of junction length, width, and orientation. The charge transfer at the leads and into the freestanding section gives rise…
Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…
The evolution of electron conductance in the presence of inelastic effects is studied as an atomic gold contact is formed evolving from a low-conductance regime (tunneling) to a high-conductance regime (contact). In order to characterize…
Electronic properties of heterostructures in which a finite number of Mott-insulator layers are sandwiched by semi-infinite metallic leads are investigated by using the dynamical-mean-field method combined with the Keldysh Green's function…
Metal microbridges with a high impurity content and shorter than the energy relaxation length are considered. Their conductance is calculated with allowance made for the Coulomb electron-electron interaction. It is shown that nonequilibrium…
The electronic shell structure in small metallic nanoclusters leads to high level degeneracy, which is strongly beneficial for the appearance of pair correlation. This results in a high value of Tc as well as in the appearance of a…
Here we present the calculations of incoherent current flowing through the two-site molecular device as well as the DNA-based junction within the rate-equation approach. Few interesting phenomena are discussed in detail. Structural…
In this work we theoretically consider the OPE-3 molecule bridging two metallic leads and show that because of the electron-phonon interaction and the transition of cation to triplet states, we can have a light induced negative differential…