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

Michael Galperin, Abraham Nitzan, Mark A. Ratner

Research output: Contribution to journalArticle

60 Citations (Scopus)


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
Issue number2-4
Publication statusPublished - Jan 1 2008



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

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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