Inelastic effects in molecular junction transport: Scattering and self-consistent calculations for the Seebeck coefficient

Michael Galperin, Abraham Nitzan*, Mark A. Ratner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

69 Scopus citations

Abstract

The influence of molecular vibration on the Seebeck coefficient is studied within a simple model. Results of a scattering theory approach are compared with those of a full self-consistent non-equilibrium Green's function scheme. We show, for a reasonable choice of parameters, that inelastic effects have a non-negligible influence on the resulting Seebeck coefficient for the junction. We note that the scattering theory approach may fail both quantitatively and qualitatively. The results of calculations with reasonable parameters are in good agreement with recent measurements [Science 315, 1568 (2007)].

Original languageEnglish
Pages (from-to)397-404
Number of pages8
JournalMolecular Physics
Volume106
Issue number2-4
DOIs
StatePublished - Jan 2008

Funding

FundersFunder number
Germany–Israel Foundation
United States-Israel Binational Science Foundation
Israel Science Foundation

    Keywords

    • Electron-phonon interaction
    • Inelastic effects
    • Molecular junctions
    • Seebeck coefficient
    • Thermoelectricity

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