Work

Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory

Year: 2018

Type: article

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 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.

Source: Physical Review Letters

DOI: 10.1103/physrevlett.120.157701

Authors: Niklas Dittmann, Janine Splettstoesser, Nicole Helbig

Institutions: Forschungszentrum Jülich, Chalmers University of Technology, RWTH Aachen University

Language: English

Topic: Quantum and electron transport phenomena

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: bronze

Funders: Deutsche Forschungsgemeinschaft, Knut och Alice Wallenbergs Stiftelse, Vetenskapsrådet

Award: G5813374984