Related papers: Current-induced bond rupture in single-molecule ju…
Magnetic hysteresis has become a crucial aspect for characterizing single-molecule magnets, but the comprehension of the coercivity mechanism is still a challenge. By using analytical derivation and quantum dynamical simulations, we reveal…
Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular…
The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods.…
Molecular-scale components are expected to be central to nanoscale electronic devices. While molecular-scale switching has been reported in atomic quantum point contacts, single-molecule junctions provide the additional flexibility of…
{Analytical equations like Richardson-Dushman's or Shockley's provided a general, if simplified conceptual background, which was widely accepted in conventional electronics and made a fundamental contribution to advances in the field. In…
We derive and employ a semi-classical Langevin equation obtained from path-integrals to describe the ionic dynamics of a molecular junction in the presence of electrical current. The electronic environment serves as an effective…
Negative differential resistance - a decrease in current with increasing bias voltage - is a counter-intuitive effect that is observed in various molecular junctions. Here, we present a novel mechanism that may be responsible for such an…
Recently [Phys. Rev. B 91, 125433 (2015)] we derived a general formula for the time-dependent quantum electron current through a molecular junction subject to an arbitrary time-dependent bias within the Wide Band Limit Approximation (WBLA)…
This work concerns the theoretical description of the quantum dynamics of molecular junctions with thermal fluctuations and probability losses To this end, we propose a theory for describing non-Hermitian quantum systems embedded in…
The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic…
Recent observations of destructive quantum interference in single-molecule junctions confirm the role played by quantum effects in the electronic conductance properties of molecular systems. We show here that the destructive interference…
Effects of a coupling between the mechanical vibrations of a quantum dot placed between the two leads of a single electron transistor and coherent tunneling of electrons through a single level in the dot has been studied. We have found that…
The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…
The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
It was recently predicted [Phys. Rev. B 75, 193301 (2007)] that spin blockade may develop at nonmagnetic semiconductor/perfect ferromagnet junctions when the electron flow is directed from the semiconductor into the ferromagnet. Here we…
Superconductivity is a result of quantum coherence at macroscopic scales. Two superconductors separated by a metallic or insulating weak link exhibit the AC Josephson effect - the conversion of a DC voltage bias into an AC supercurrent.…
Using a model comprising a 2-level bridge connecting free electron reservoirs we show that coupling of a molecular bridge to electron-hole excitations in the leads can markedly effect the source-drain current through a molecular junction.In…
We report a theoretical analysis and experimental observation of the quantum dynamics of a single vortex-antivortex (VAV) pair confined in a long narrow annular Josephson junction. The switching of the junction from the superconducting…
From first-principles approaches, we illustrate that the current-induced forces and the selection rule for inelastic effects are highly relevant to the current density in an asymmetric molecular junction. The curved flow of current…