Related papers: Current-induced dynamics in carbon atomic contacts
The influence of an electron-vibrational coupling on the laser control of electron transport through a molecular wire that is attached to several electronic leads is investigated. These molecular vibrational modes induce an effective…
Atom-ion interactions occur through the electric dipole which is induced by the ion on the neutral atom. In a Langevin collision, in which the atom and ion overcome the centrifugal barrier and reach a short internuclear distance, their…
We present a time-dependent study of electron transport through a strongly correlated quantum dot. The time-dependent current is obtained with the multiple-probe battery method, while adiabatic lattice density functional theory in the Bethe…
Based on generalized quantum Langevin equations for the tight-binding wave function amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The…
Nanoscale molecular-electronic devices and machines are emerging as promising functional elements, naturally flexible and efficient, for next generation technologies. A deeper understanding of carrier dynamics in molecular junctions is…
We study the nonlinear dynamics of a deformed Deoxyribonucleic acid (DNA) molecular chain which is governed by a perturbed sine-Gordon equation coupled with a linear wave equation representing the lattice deformation. The DNA chain…
Motivated by a recent experiment on nonlinear tunneling in a suspended Carbon nanotube connected to two normal electrodes [S. Sapmaz, {\it et al}., Phys. Rev. Lett. {\bf 96}, 26801 (2006)], we investigate nonequilibrium vibration-mediated…
Newly synthesized nanostructures of graphene appear as a promising breeding ground for new technology. Therefore, it is important to identify the role played by the boundary conditions in their electronic features. In this contribution we…
Graphene electrodes provide a suitable alternative to metal contacts in molecular conduction nanojunctions. Here, we propose to use graphene electrodes as a platform for effective photon assisted tunneling through molecular conduction…
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…
An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
Graphene nanoribbons (GNRs) are thin strips of graphene with unique properties due to their structure and nanometric dimensions. They stand out as basic components for the construction of different types of nanoelectromechanical systems…
Negative differential conductivity (NDC) is a widely exploited effect in modern electronic components. Here, a proof-of-principle is given for the observation of NDC in a quantum transport device for neutral atoms employing a multi-mode…
This work presents a systematic methodology for describing the transient dynamics of coarse-grained molecular systems inferred from all-atom simulated data. We suggest Langevin-type dynamics where the coarse-grained interaction potential…
The interaction between electronic and nuclear degrees of freedom in single-molecule junctions is an essential mechanism, which may result in the current-induced rupture of chemical bonds. As such, it is fundamental for the stability of…
Generating photogalvanic effects in centrosymmetric materials can provide new opportunities for developing passive photodetectors and energy harvesting devices. In this work, we investigate the photogalvanic effects in centrosymmetric…
Electron transport through a diatomic molecular tunnel junction shows wave like interference phenomenon. By using Keldysh non-equilibrium Green's function (NEGF) theory, we have explicitly presented current and differential conductance…
We study the dynamics of phonon-mediated qubit-qubit interactions between trapped ions in the presence of an ultracold atomic gas. By deriving and solving a master equation to describe the combined system, we show that the presence of the…
Well-known conductive molecular wires, like cumulene or polyyne, provide a model for interconnecting molecular electronics circuit. In the recent experiment, the appearance of carbon wire bridging two-dimensional electrodes - graphene…
In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking…