Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory
Artikel i vetenskaplig tidskrift, 2018

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 nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

Författare

Niklas Dittmann

RWTH Aachen University

Chalmers, Mikroteknologi och nanovetenskap (MC2), Tillämpad kvantfysik

Forschungszentrum Jülich

Janine Splettstoesser

Chalmers, Mikroteknologi och nanovetenskap (MC2), Tillämpad kvantfysik

Nicole Helbig

Forschungszentrum Jülich

Physical Review Letters

0031-9007 (ISSN) 1079-7114 (eISSN)

Vol. 120 157701

Ämneskategorier

Annan fysik

Teoretisk kemi

Den kondenserade materiens fysik

DOI

10.1103/PhysRevLett.120.157701