Non-Adiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density Functional Theory
Mesoscale and Nanoscale Physics
2018-04-18 v3
Abstract
We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead, in time-dependent density functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time non-locality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation time scales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.
Cite
@article{arxiv.1706.04547,
title = {Non-Adiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density Functional Theory},
author = {Niklas Dittmann and Janine Splettstoesser and Nicole Helbig},
journal= {arXiv preprint arXiv:1706.04547},
year = {2018}
}
Comments
accepted in Physical Review Letters