We study transport in ferromagnetic single-electron transistors. The non-equilibrium spin accumulation on the island caused by a finite current through the system is described by a generalized theory of the Coulomb blockade. It enhances the tunnel magnetoresistance and has a drastic effect on the time-dependent transport properties. A transient decay of the spin accumulation may reverse the ele...

We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field (DMFT) for computing electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions presenting alternating Cu Co layers, which exhibit spin-dependent charge transport giant magnetoresistance (GMR) effect. calculations show that coherent $3d$ states greatly supp...

in this study, we have theoretically investigated the effect of electron stopper layer on internal temperature distribution of high performance vertical cavity surface-emitting laser emitting at 1305 nm.  simulation software pics3d, which self-consistently combines the 3d simulation of carrier transport, self-heating, gain computation and wave-guiding, was used. simulation results show that cha...

We show that the transport integrals of two-site charge Kondo circuits connecting various multi-channel simulators satisfy generalized Wiedemann-Franz law with universal Lorenz ratios all greater than one. The magic are directly related to Anderson's orthogonality catastrophe in quantum providing some additional measure for strong electron-electron correlations. present a full fledged theory an...

A multi-term theory for solving the Boltzmann equation and a Monte Carlo simulation technique are used to investigate the electron transport in mixtures of molecular nitrogen and oxygen. We investigate the way in which the transport coefficients and spatially resolved transport data are influenced by the amount of O2 in the mixture. This study was initiated in order to obtain the transport data...

A comprehensive theoretical study was carried out on a series of aryldimesityl borane (DMB) derivatives using Density Functional theory. Optimized geometries and electronic parameters like electron affinity, reorganization energy, frontiers molecular contours, polarizability and hyperpolarizability have been calculated by employing B3PW91/6-311++G (d, p) level of theory. Our results show that t...

Despite the great amount of attention CH3NH3PbI3 has received for its solar cell application, intrinsic properties of this material are still largely unknown. Mobility of charges is a quintessential property in this aspect; however, there is still no clear understanding of electron transport, as reported values span over three orders of magnitude. Here we develop a method to measure the electro...

The purpose of this study was to develop and implement an in silico model of indigoid-based single-electron transistor (SET) nanodevices, which consist of indigoid molecules from natural dye weakly coupled to gold electrodes that function in a Coulomb blockade regime. The electronic properties of the indigoid molecules were investigated using the optimized density-functional theory (DFT) with a...

The electron transport through ultra-scaled amorphous phase change material (PCM) GeTe is investigated by using ab initio molecular dynamics, density functional theory, and non-equilibrium Green’s function, and the inelastic electron–phonon scattering is accounted for by using the Born approximation. It is shown that, in ultra-scaled PCM device with 6 nm channel length, <4 % of the energy carri...