Modeling the inelastic electron tunneling spectra of molecular wire junctions

Alessandro Troisi, Mark A Ratner

Research output: Contribution to journalArticle

80 Citations (Scopus)

Abstract

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
Volume72
Issue number3
DOIs
Publication statusPublished - Jul 15 2005

Fingerprint

Electron tunneling
electron tunneling
wire
Wire
vibration
Green's function
Green's functions
Derivatives
Electrons
electrons

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Modeling the inelastic electron tunneling spectra of molecular wire junctions. / Troisi, Alessandro; Ratner, Mark A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 72, No. 3, 033408, 15.07.2005.

Research output: Contribution to journalArticle

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