2007/11/30 by Magnus Paulsson, Thomas Frederiksen, H. Ueba +4 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Graphene research and applications #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #cond-mat.mes-hall
paper · pdf · doi:10.1103/physrevlett.100.226604
published as PRL 100, 226604 (2008) · 4 pages, 4 figures, 1 table http://link.aps.org/abstract/PRL/v100/e226604
openalex publication_date 2008/06/05 · arxiv created 2008/06/11 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmetries in play, and hence to obtain the so-called propensity rules for the studied systems. We show that only a few scattering states--namely those belonging to the most transmitting eigenchannels--need to be considered for a complete description of the electron transport. We apply the method on first-principles calculations of four different systems and obtain the propensity rules in each case.