Modeling the inelastic electron tunneling spectra of molecular wire junctions

Alessandro Troisi; Mark A. Ratner

doi:10.1103/PhysRevB.72.033408

Modeling the inelastic electron tunneling spectra of molecular wire junctions

Alessandro Troisi, Mark A. Ratner

Northwestern University

Research output: Contribution to journal › Article › peer-review

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 language	English
Article number	033408
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	72
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevB.72.033408
Publication status	Published - Jul 15 2005

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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