Related papers: Charge-memory polaron effect in molecular junction…
The consequences of the charge symmetry breaking effects of the mass difference between the up and down quarks and electromagnetic effects for searches for strangeness form factors in parity violating electron scattering from the proton are…
We investigate chemical bond formation and conductance in a molecular C60-junction under finite bias voltage using first-principles calculations based on density functional theory and nonequilibrium Green's functions (DFT-NEGF). At the…
In a nanoscale molecular junction at finite bias voltage,the intra-molecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively excited in a…
For the study of molecular spin junctions, we take into account two types of couplings between the molecule and the metal leads: (i) electron transfer that gives rise to net current in the biased junction and (ii) energy transfer between…
Molecular conduction operating in dielectric solvent environments are often described using kinetic rates based on Marcus theory of electron transfer at a molecule-metal electrode interface. However, the successive nature of charge transfer…
In contrast to the static operations of conventional semiconductor devices, the dynamic conformational freedom in molecular devices opens up the possibility of using molecules as new types of devices such as a molecular conformational…
The connection between molecular vibrations and spin polarization in charge transport through molecular junctions is currently a topic of high interest, with important consequences for a variety of phenomena, such as chirality-induced spin…
The effects of the charging energy in the superconducting transition of granular materials or Josephson junction arrays is investigated using a pseudospin one model. Within a mean-field renormalization-group approach, we obtain the phase…
We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the…
In nanoscale junctions the interaction between charge carriers and the local vibrations results in renormalization, damping and heating of the vibrational modes. We here formulate a nonequilibrium Green's functions based theory to describe…
The influence of the charging effects on the transport characteristics of a molecular wire bridging two metallic electrodes in the limit of weak contacts is studied by generalized Breit-Wigner formula. Molecule is modeled as a quantum dot…
The phase of the wave function of charged matter is sensitive to the value of the electric potential, even when the matter never enters any region with non-vanishing electromagnetic fields. Despite its fundamental character, this archetypal…
We report the results of a numerical study of nonequilibrium steady states for a class of Hamiltonian models. In these models of coupled matter-energy transport, particles exchange energy through collisions with pinned-down rotating disks.…
Attractive electron correlations due to an electron-vibron interaction (EVI) can overcome the direct Coulomb repulsion of polarons in strongly deformable molecular quantum dots (MQDs). If it realizes, a switching appears in the I-V…
In quantum dots or molecules with vibrational degrees of freedom the electron-vibron coupling renormalizes the electronic charging energy. For sufficiently strong coupling, the renormalized charging energy can become negative. Here, we…
Current-voltage characteristics of a spintromechanical device, in which spin-polarized electrons tunnel between magnetic leads with anti-parallel magnetization through a single level movable quantum dot, are calculated. New exchange- and…
The linear thermoelectric properties of molecular junctions are theoretically studied close to room temperature within a model including electron-electron and electron-vibration interactions on the molecule. A nonequilibrium adiabatic…
We consider the steady-state thermoelectric transport through a vibrating molecular quantum dot that is contacted to macroscopic leads. For moderate electron-phonon interaction strength and comparable electronic and phononic timescales, we…
Low-energy inelastic collisions with neutral hydrogen atoms are important processes in stellar atmospheres, and a persistent source of uncertainty in non-LTE modelling of stellar spectra. We have calculated and studied excitation and charge…
Charge migration is the electronic response that immediately follows localized ionization or excitation in a molecule, before the nuclei have time to move. It typically unfolds on sub-femtosecond time scales and most often corresponds to…