Related papers: Electron transfer through a single barrier inside …
Recent years have shown steady progress in research towards molecular electronics [1,2], where molecules have been investigated as switches [3-5], diodes [6], and electronic mixers [7]. In much of the previous work a Scanning Tunnelling…
Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…
For single-file translocations of a charged macromolecule through a narrow pore, the crucial step of arrival of an end at the pore suffers from free energy barriers, arising from changes in intrachain electrostatic interaction, distribution…
Tunnel transport processes are considered in a square lattice of metallic nanogranules embedded into insulating host to model tunnel conduction in real metal/insulator granular layers. Based on a simple model with three possible charging…
A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…
We investigate electron transport through a mono-atomic wire which is tunnel coupled to two electrodes and also to the underlying substrate. The setup is modeled by a tight-binding Hamiltonian and can be realized with a scanning tunnel…
We investigate the interplay of ferroelectricity and quantum electron transport at the nanoscale in the regime of Coulomb blockade. Ferroelectric polarization in this case is no longer the external parameter but should be self-consistently…
A plasma transport theory that spans weak to strong coupling is developed from a binary collision picture, but where the interaction potential is taken to be an effective potential that includes correlation effects and screening…
We calculate, via spin density functional theory (SDFT) and exact diagonalization, the eigenstates for electrons in a variety of external potentials, including double and triple dots. The SDFT calculations employ realistic wafer profiles…
Transport through molecular magnets is studied in the regime of strong coupling to the leads. We consider a resonant-tunneling model where the electron spin in a quantum dot or molecule is coupled to an additional local, anisotropic spin…
We report on the charge carrier dynamics in single lateral quantum dot molecules and the effect of an applied electric field on the molecular states. Controllable electron tunneling manifests itself in a deviation from the typical excitonic…
We study the quantum dynamics of strongly interacting few-boson mixtures in one-dimensional traps. If one species is strongly localized compared to the other (e.g., much heavier), it can serve as an effective potential barrier for that…
Photon-assisted charge transport through a double barrier structure under a time periodic field in graphene is studied. Within the framework of the Floquet formalism and using the transfer matrix method, the transmission probabilities for…
A set of stacked two-dimensional electron systems in a perpendicular magnetic field exhibits a three-dimensional version of the quantum Hall effect if interlayer tunneling is not too strong. When such a sample is in a quantum Hall plateau,…
We analyze the density functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies depend…
Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode levels, that are governed by…
We investigate the electron localization in double concentric quantum rings (DCQRs) when a perpendicular magnetic field is applied. In weakly coupled DCQRs, the situation can occur when the single electron energy levels associated with…
We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…
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…
Few-electron systems confined in a quantum dot laterally coupled to a surrounding quantum ring in the presence of an external magnetic field are studied by exact diagonalization. The distribution of electrons between the dot and the ring is…