Unified description of inelastic propensity rules for electron transport through nanoscale junctions

Details Unified description of inelastic propensity rules for electron transport through nanoscale junctions Unified description of inelastic propensity rules for electron transport through nanoscale junctions

2007-11-21

arxiv.org/abs/0711.3392v2

PRL 100, 226604 (2008)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 pages, 4 figures, 1 table http://link.aps.org/abstract/PRL/v100/e226604

Scientific paper

10.1103/PhysRevLett.100.226604

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 symmeties 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.

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