| Literature DB >> 18643440 |
Magnus Paulsson1, Thomas Frederiksen, Hiromu Ueba, Nicolás Lorente, Mads Brandbyge.
Abstract
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.Year: 2008 PMID: 18643440 DOI: 10.1103/PhysRevLett.100.226604
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161