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 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.
    Original languageEnglish
    JournalPhysical Review Letters
    Volume100
    Issue number22
    Pages (from-to)226604
    ISSN0031-9007
    DOIs
    Publication statusPublished - 2008

    Bibliographical note

    Copyright 2008 American Physical Society

    Keywords

    • SYMMETRY
    • TUNNELING SPECTROSCOPY
    • SINGLE-MOLECULE
    • MICROSCOPY

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