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

Publication: Research - peer-reviewJournal article – Annual report year: 2008

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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
Publication date2008
Volume100
Issue22
Pages226604
ISSN0031-9007
DOIs
StatePublished

Bibliographical note

Copyright 2008 American Physical Society

CitationsWeb of Science® Times Cited: 94

Keywords

  • SYMMETRY, TUNNELING SPECTROSCOPY, SINGLE-MOLECULE, MICROSCOPY
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