Modeling the inelastic electron tunneling spectra of molecular wire junctions

Alessandro Troisi, Mark A. Ratner

Research output: Contribution to journalArticle

80 Citations (Scopus)


A method to predict inelastic electron tunneling (IET) spectra is proposed. Standard quantum chemical techniques are adapted to compute the Green's function derivatives with respect to the normal vibrational coordinates, used to calculate the intensities of the IET peak for each vibration. The agreement between the computed spectra and the experimental measurements presented by Kushmerick [Nano Lett. 4, 639 (2004)] is very good, and helps in understanding the electron-vibration coupling in these systems.

Original languageEnglish
Article number033408
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number3
Publication statusPublished - Jul 15 2005


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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