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arXiv · 0711.3392

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

Magnus Paulsson·Thomas Frederiksen·Hiromu Ueba·Nicolas Lorente·Mads Brandbyge
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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 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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Magnus Paulsson, Thomas Frederiksen, Hiromu Ueba, Nicolas Lorente, Mads Brandbyge. 2008-06-11. Unified description of inelastic propensity rules for electron transport through nanoscale junctions. https://doi.org/10.1103/physrevlett.100.226604

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