Related papers: Nonequilibrium excitations of molecular vibrons
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 present a new formulation of the correlated electron-ion dynamics (CEID) by using equations of motion for nonequilibrium Green's functions, which generalizes CEID to a general nonequilibrium statistical ensemble that allows for a…
We present an ab-initio method to simulate the current noise in the presence of electron-vibration interactions in atomic and molecular junctions at finite temperature. Using a combination of nonequilibrium Keldysh Green's function…
Molecular excited vibrational states are metastable states and we incorporate their finite lifetimes into the theory of vibrational energy transfer between weakly interacting molecules, i.e., at internuclear distances at which they do not…
The calculation of the nonlinear conductance of a single-molecule junction is revisited. The self energy on the junction resulting from the electron-phonon interaction has at low temperatures logarithmic singularities (in the real part) and…
We present an analysis of the transient electronic and transport properties of a nanojunction in the presence of electron-electron and electron-phonon interactions. We introduce a novel numerical approach which allows for an efficient…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
We present a theoretical framework to describe experiments directed to controlling single-atom spin dynamics by electrical means using a scanning tunneling microscope. We propose a simple model consisting of a quantum impurity connected to…
Long range frequency chirping of Bernstein-Greene-Kruskal modes, whose existence is determined by the fast particles, is investigated in cases where these particles do not move freely and their motion is bounded to restricted orbits. An…
We develop nonequilibribrium Green's function based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow…
We present a microscopic theory of bipolar quantum well structures in the photovoltaic regime, based on the non-equilibrium Green's function formalism for a multi band tight binding Hamiltonian. The quantum kinetic equations for the single…
We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…
We study the equilibrium and nonequilibrium electronic transport properties of multiprobe topological systems using a combination of the Landauer-B\"uttiker approach and nonequilibrium Green's functions techniques. We obtain general…
(Dated: July 17, 2017) We calculate the electric charge current flowing through a vibrating molecular nanojunction, which is driven by an ac voltage, in its regime of nonlinear oscillations. Without loss of generality, we model the junction…
We study dynamic nonequilibrium electron charging phenomena in ballistic molecular devices at room temperature that compromise their response to bias and whose nature is evidently distinguishable from static Schottky-type potential…
We study the I-V characteristic of mesoscopic systems or Quantum dot attached of a pair of superconducting leads. Interaction effects in the quantum dot are considered through the charging energy of the quantum dot; the treatment of such…
We theoretically analyze the spectrum of a magnetic molecule when its charge and spin can couple to the molecular vibrations. More specifically, we show that the interplay between charge-vibron and spin-vibron coupling leads to a…
The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…
A theoretical investigation of the dissociative excitation by electron impact on the NO molecule is presented, aiming to make up for the lack of data for this process in the literature. A full set of vibrationally-resolved cross sections…
Bound state in continuum (BIC) might appear in open quantum dots for variation of the dot's shape. By means of the equations of motion of Green functions we investigate effect of strong intradot Coulomb interactions on that phenomenon in…