Related papers: Electron transfer through a single barrier inside …
In recent years, charge transport in metal-organic frameworks (MOFs) has shifted into the focus of scientific research. In this context, systems with efficient through-space charge transport pathways resulting from pi-stacked conjugated…
Quantum transport properties through some multilevel quantum dots sandwiched between two metallic contacts are investigated by the use of Green's function technique. Here we do parametric calculations, based on the tight-binding model, to…
Understanding how the mechanism of charge transport through molecular tunnel junctions depends on temperature is crucial to control electronic function in molecular electronic devices. With just a few systems investigated as a function of…
In our theoretical study in which we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate branched compounds containing Ru or Os metal complexes in two branches, which due to their…
Transistors, regardless of their size, rely on electrical gates to control the conductance between source and drain contacts. In atomic-scale transistors, this conductance is exquisitely sensitive to single electrons hopping via individual…
We use a non-Markovian master equation to describe the transport of Coulomb interacting electrons through an electromagnetic cavity with one quantized photon mode. The central system is a finite parabolic quantum wire that is coupled weakly…
The magnetic character of the ground-state of two electrons on a double quantum dot, connected in series to left and right single-channel leads, is considered. By solving exactly for the spectrum of the two interacting electrons, it is…
In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wavefunction of the molecular orbital from which the electron is removed. The orbital…
We develop an Over Barrier Model for computing charge exchange between ions and one-active-electron atoms at low impact energies. The main feature of the model is the treatment of the barrier crossing process by the electron within a…
We investigate the current-voltage (IV) characteristics of a model single-electron transistor where mechanical motion, subject to strong dissipation, of a small metallic grain is possible. The system is studied both by using Monte Carlo…
The recently proposed density functional theory for steady-state transport (i-DFT) is extended to include temperature gradients between the leads. Within this framework, a general and exact expression is derived for the linear Seebeck…
Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band-gap materials. This promise is contingent upon the…
The spin-polarized transport through two-level quantum dots weakly coupled to ferromagnetic leads is considered theoretically in the Coulomb blockade regime. It is assumed that the dot is doubly occupied, so that the current flows due to…
Few-electron eigenstates confined in coupled concentric double quantum rings are studied by the exact diagonalization technique. We show that the magnetic field suppresses the tunnel coupling between the rings localizing the single-electron…
We present a general analytical formula and an ab initio study of quantum interference in multi-branch molecules. Ab initio calculations are used to investigate quantum interference in a benzene-1,2-dithiolate (BDT) molecule sandwiched…
The non-equilibrium tunnel transport processes are considered in a square lattice of metallic nanogranules embedded into insulating host. Based on a simple model with three possible charging states (+,-, or 0) of a granule and three kinetic…
We study a two-dimensional cylindrically-symmetric electron droplet separated from a surrounding electron ring by a tunable barrier using the exact diagonalization method. The magnetic field is assumed strong so that the electrons become…
We present a density-matrix rate-equation approach to sequential tunneling through a metal particle weakly coupled to ferromagnetic leads. The density-matrix description is able to deal with correlations between degenerate many-electron…
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…
Electron transport in a quantum wire with leads is investigated with actual Coulomb interaction taken into account. The latter includes both the direct interaction of electrons with each other and their interaction via the image charges…