The Role of Bound States in Time-Dependent Quantum Transport
E. Khosravi, S. Kurth, G. Stefanucci, E.K.U. Gross

TL;DR
This paper investigates how bound states influence charge transport in nanoscale junctions, revealing persistent current oscillations and their dependence on initial conditions and applied potentials through numerical simulations.
Contribution
It provides the first detailed numerical analysis of the impact of bound states on time-dependent quantum transport in nanoscale systems.
Findings
Bound states cause persistent, non-decaying current oscillations.
Oscillation amplitudes depend on the history of applied potentials.
Different time-scales in transient transport are identified and analyzed.
Abstract
Charge transport through a nanoscale junction coupled to two macroscopic electrodes is investigated for the situation when bound states are present. We provide numerical evidence that bound states give rise to persistent, non-decaying current oscillations in the junction. We also show that the amplitude of these oscillations can exhibit a strong dependence on the history of the applied potential as well as on the initial equilibrium configuration. Our simulations allow for a quantitative investigation of several transient features. We also discuss the existence of different time-scales and address their microscopic origin.
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Taxonomy
TopicsMolecular Junctions and Nanostructures · Force Microscopy Techniques and Applications · Electrochemical Analysis and Applications
