Related papers: Electron-Electron Interactions in Device Simulatio…
Employing a real time effective action formalism we analyze electron transport and current fluctuations in comparatively short coherent conductors in the presence of electron-electron interactions. We demonstrate that, while Coulomb…
Classical and quantum dynamics are important limits for the understanding of the transport characteristics of interacting electrons in nanodevices. Here we apply an intermediate semiclassical approach to investigate the dynamics of two…
The strong coupling between electronic transport in a single-level quantum dot and a capacitively coupled nano-mechanical oscillator may lead to a transition towards a mechanically-bistable and blocked-current state. Its observation is at…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
The influence of electron-electron (e-e) interactions on the transmission through a quantum dot is investigated numerically for the Coulomb blockade regime. For vanishing magnetic fields, the conductance peak height statistics is found to…
In a recent paper Liang {\it et al.} [Nature {\bf 411}, 665 (2001)] showed experimentally, that metallic nanotubes, strongly coupled to external electrodes, may act as coherent molecular waveguides for electronic transport. The experimental…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
An unresolved challenge facing electronics at a few-nm scale is that resistive channels start leaking due to quantum tunneling. This affects the performance of nanoscale transistors, with single-molecule devices displaying particularly low…
We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on…
We present the implementation of spinor quantum transport within the non-equilibrium Green's function (NEGF) code TranSIESTA based on Density Functional Theory (DFT). First-principles methods play an essential role in molecular and material…
Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…
Spin transport properties of a spin-polarized two-dimensional electron gas are studied in the presence of electron-electron interactions. Longitudinal and transverse spin diffusion coefficients are calculated with the quantum transport…
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…
Nonequilibrium electronic forces play a central role in voltage-driven phase transitions but are notoriously expensive to evaluate in dynamical simulations. Here we develop a machine learning framework for adiabatic lattice dynamics coupled…
We develop a nonequilibrium Green's function theory for dispersion interactions between two nanostructures, each an open quantum system driven into a nonequilibrium steady state by an applied bias voltage. Starting from the two-particle…
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…
Electron-electron (e-e) collisions can impact transport in a variety of surprising and sometimes counterintuitive ways. Despite strong interest, experiments on the subject proved challenging because of the simultaneous presence of different…
We develop a theory for the nonequilibrium coherent transport through a mesoscopic region, based on the nonequilibrium Green function technique. The theory requires the weak coupling between the central mesoscopic region and the multiple…
An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system…
We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use…