Related papers: Small Heterocyclic Molecule as Multistate Transist…
The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the…
We investigate sequential tunneling transport through a semiconductor double quantum dot structure by combining a simple microscopic quantum confinement model with a Mott-Hubbard type correlation model. We calculate nonperturbatively the…
We theoretically investigate the effect of inter-molecular Coulomb interactions on transport through molecular monolayers (or other devices based on a large number of nanoscale conductors connected in parallel). Due to the interactions, the…
We point out that single electron charging effects such as Coulomb Blockade (CB) and high-bias staircases play a crucial role in transport through single ultrashort molecules. A treatment of Coulomb Blockade through a prototypical molecule,…
Negative differential conductance (NDC) is a non-linear transport phenomenon ubiquitous in molecular nanojunctions. Its physical origin can be the most diverse. In rotationally symmetric molecules with orbitally degenerate many-body states,…
Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…
Quantum transport properties through single polycyclic hydrocarbon molecules attached to two metallic electrodes are studied by the use of Green's function technique. A parametric approach based on the tight-binding model is introduced to…
Here we study the polaronic transport through molecules weakly connected to metallic electrodes in the nonlinear response regime. Molecule itself is treated as a quantum dot with discrete energy levels, its connection to the electrodes is…
A many-body theory of molecular junction transport based on nonequilibrium Green's functions is developed, which treats coherent quantum effects and Coulomb interactions on an equal footing. The central quantity of the many-body theory is…
We use first-principle Quantum Monte-Carlo (QMC) simulations and numerical exact diagonalization to analyze the low-frequency charge carrier mobility within a simple tight-binding model of molecular organic semiconductors on a…
We investigated the peculiarities of non-equilibrium charge configurations in the system of two strongly coupled quantum dots (QDs) weakly connected to the reservoirs in the presence of Coulomb correlations. We revealed that total electron…
We review recent developments in nonlinear quantum transport through nanostructures and mesoscopic systems driven by thermal gradients or in combination with voltage biases. Low-dimensional conductors are excellent platforms to analyze both…
An examination of the properties of many-electron conduction through spin-degenerate systems can lead to situations where increasing the bias voltage applied to the system is predicted to decrease the current flowing through it, for the…
Combined diverse two-dimensional (2D) materials for semiconductor interfaces are attractive for electrically controllable carrier confinement to enable excellent electrostatic control. We investigated the transport characteristic in…
The transport properties of quantum dots with up to N=7 electrons ranging from the weak to the strong interacting regime are investigated via the projected Hartree-Fock technique. As interactions increase radial order develops in the dot,…
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…
Inherent asymmetry in the tunneling barriers of few-electron quantum dots induces intrinsically different tunneling currents for forward and reverse source-drain biases in the non-linear transport regime. Here we show that in addition to…
Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterise the response to weak electric and…
We investigate the electron transport properties of a model magnetic molecule formed by two magnetic centers whose exchange coupling can be altered with a longitudinal electric field. In general we find a negative differential conductance…
Nonlinear transport through a quantum dot is studied in the limit of weak and strong intra-dot Coulomb interaction. For the latter regime the nonequilibrium self-consistent mean field equations for energies and spectral weights of…