Modeling the inelastic electron tunneling spectra of molecular wire junctions

被引：81

作者：

Troisi, A

Ratner, MA

机构：

[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

[2] Northwestern Univ, Dept Chem, Ctr Nanofabricat & Mol Self Assembly, Evanston, IL 60208 USA

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.72.033408

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

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页数：4

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