Related papers: Higher harmonics and ac transport from time depend…
With the continued scaling of microelectronic devices along with the growing demand of high-speed wireless telecommunications technologies, there is increasing need for high-frequency device modeling techniques that accurately capture the…
We report state-of-the-art atomistic simulations combined with high-fidelity conductance calculations to probe structure-conductance relationships in Au-benzenedithiolate(BDT)-Au junctions under elongation. Our results demonstrate that…
We consider bosonic transport through one-dimensional spin systems. Transport is induced by coupling the spin systems to bosonic reservoirs kept at different temperatures. In the limit of weak-coupling between spins and bosons we apply the…
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…
We investigate the time-dependent transport properties of single and double quantum-impurity systems based on the hierarchical equations of motion (HEOM) approach. In the Kondo regime, the dynamical current in both cases is found…
Atomic-sized junctions of iron, created by controlled rupture, present unusually high values of conductance compared to other metals. This result is counter-intuitive since, at the nanoscale, body-centered cubic metals are expected to…
Understanding transport processes in complex nanoscale systems, like ionic conductivities in nanofluidic devices or heat conduction in low dimensional solids, poses the problem of examining fluctuations of currents within nonequilibrium…
We investigate the conformation-dependent electron transfer in a biphenyl molecule within a simple tight-binding framework. The overall junction current and circular currents in two benzene rings driven by applied bias voltage are…
The simulation of quantum transport in a realistic, many-particle system is a nontrivial problem with no quantitatively satisfactory solution. While real-time propagation has the potential to overcome the shortcomings of conventional…
We analyze resonant tunneling subject to a non-adiabatic time-dependent bias-voltage through an asymmetric single molecular quantum dot with coupling between the electronic and vibrational degrees of freedom using a {\em Tien-Gordon-type}…
Quantum transport in a narrow constriction, and in the presence of a finite-range time-modulated potential, is studied. The potential is taken the form $V(x,t) = V_{0} \theta(x)\theta(a-x)\cos(\omega t)$, with $a$ the range of the potential…
The FASTSUM collaboration presents a study on the temperature dependence of the electrical conductivity $\sigma$ in the quark-gluon plasma, using the methods of lattice QCD. Correlators of the exactly conserved vector current are measured…
The presence of bound states in a nanoscale electronic system attached to two biased, macroscopic electrodes is shown to give rise to persistent, non-decaying, localized current oscillations which can be much larger than the steady part of…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…
After the seminal work of R. Landauer in 1957 relating the electrical resistance of a conductor to its scattering properties, much progress has been made in our ability to predict the performance of electron devices in the DC (stationary)…
A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon…
We develop a theoretical approach to quantum transport through single conjugated organic molecules that accurately accounts for all molecular excited and ground states via a semi-empirical many-body molecular Hamiltonian. We then calculate…
We expand iterative numerically-exact influence functional path-integral tools and present a method capable of following the nonequilibrium time evolution of subsystems coupled to multiple bosonic and fermionic reservoirs simultaneously.…
Classical Hamiltonian ratchets have been recently successfully realized using cold atoms in driven optical lattices. Here we study the current rectification of the motion of a quantum particle in a periodic potential exposed to an external…
Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a Stochastic Nonequlibrium Molecular Dynamics simulation…