2018/04/30 by Andre Erpenbeck, André Erpenbeck, L. Götzendörfer +4
Engineering · Physics and Astronomy · #Advancements in Semiconductor Devices and Circuit Design #Charge (physics) #Chemical physics #Coupling (piping) #Master equation #Materials science #Molecular Junctions and Nanostructures #Physics #Quantum #Quantum and electron transport phenomena #Quantum mechanics #Statistical physics #cond-mat.mes-hall
paper · pdf · doi:10.1140/epjst/e2018-800083-0
arxiv created 2018/04/30 · openalex created_date 2018/05/07 · openalex publication_date 2019/02/13 · arxiv updated 2019/03/27 · openalex updated_date 2026/08/05
Time-dependent currents in molecular junctions can be caused by structural fluctuations or interaction with external fields. In this publication, we demonstrate how the hierarchical quantum master equation approach can be used to study time-dependent transport in a molecular junction. This reduced density matrix methodology provides a numerically exact solution to the transport problem including time-dependent energy levels, molecule-lead coupling strengths and transitions between electronic states of the molecular bridge. Based on a representative model, the influence of a time-dependent molecule-lead coupling on the electronic current is analyzed in some detail.