Related papers: Current-induced dynamics in carbon atomic contacts
In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's…
We investigate the atomic and electronic structures of cyclooctatetraene (COT) molecules on graphene and analyze their dependence on external gate voltage using first-principles calculations. The external gate voltage is simulated by adding…
By using a propagation scheme for current matrices and an auxiliary mode expansion method, we investigate the transient dynamics of a single molecular junction coupled with a vibrational mode. Our approach is based on the Anderson-Holstein…
We develop a detailed theoretical investigation of the effect of Coulomb interaction on electron transport in arrays of chaotic quantum dots and diffusive metallic wires. Employing the real time path integral technique we formulate a new…
Previous years researchers began to simulate open quantum system, taking into account the interaction between system and the environment. One approach to deal with this problem is to use the density matrix within the Liouville-von-Neumann…
In the present molecular dynamics study, external ac driving is used at frequencies outside the phonon spectrum to excite gap DBs in uniformly strained graphene nanoribbon. Harmonic displacement or harmonic force is applied to a zigzag…
The Langevin equation includes a random force to maintain equilibrium and prevent friction from bringing motion to a standstill; but for ballistic motion, the random force is often neglected. Here, we use the Langevin equation for molecular…
Dynamic conductance and time-of-flight current instability in a quantum wire connected to electron reservoirs under DC bias voltage are studied in the absence of a gate screening the Coulomb interaction of electrons. Due to a strong…
We propose a new orbital controlled model to explain the gate field induced switching of current in a semiconducting PbS-nanowire junction. A single particle scattering formalism in conjunction with a posteriori density functional approach…
Using the self-consistent Hartree-Fock approximation, we study the compressibility instability of the interacting electrons in bilayer graphene. The chemical potential and the compressibility of the electrons can be significantly altered by…
For a class of nonequilibrium systems, called driven lattice gases, we study what happens when two systems are kept in contact and allowed to exchange particles with the total number of particles conserved. Both for attractive and repulsive…
We investigate the mechanism of heat conduction in ordered and disordered harmonic onedimensional chains within the quantum mechanical Langevin method. In the case of the disordered chains we find indications for normal heat conduction…
We study the nonequilibrium dynamics of photoinduced phase transitions in charge ordered (CO) systems with a strong electron-lattice interaction and analyze the interplay between electrons, periodic lattice distortions, and a phonon thermal…
We develop a theory for quantum phases and quantum multicriticality in bilayer graphene in the presence of an explicit energy gap in the non-interacting spectrum by extending previous renormalization group (RG) analyses of electron-electron…
The paper highlights the role of a positive feedback gating mechanism at the cellular level in the robust- ness and modulation properties of rhythmic activities at the circuit level. The results are presented in the context of half-center…
Quantum interference in nano-electronic devices could lead to reduced-energy computing and efficient thermoelectric energy harvesting. When devices are shrunk down to the molecular level it is still unclear to what extent electron…
We present a detailed description of semi-quantum molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian…
Ultracold atoms offer a unique opportunity to study many-body physics in a clean and well-controlled environment. However, the isolated nature of quantum gases makes it difficult to study transport properties of the system, which are among…
While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…
We investigate the electromechanical response of doubly clamped graphene nanoribbons to a transverse gate voltage. An analytical model is developed to predict the field-induced deformation of graphene nanoribbons as a function of field…