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

57 Citations (Scopus)

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
Publication statusPublished - Jan 2008

Fingerprint

Seebeck coefficient
Seebeck effect
Vibration
Molecular vibrations
Scattering
scattering
Green's function
Green's functions
vibration

Keywords

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

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Inelastic effects in molecular junction transport : Scattering and self-consistent calculations for the Seebeck coefficient. / Galperin, Michael; Nitzan, Abraham; Ratner, Mark A.

In: Molecular Physics, Vol. 106, No. 2-4, 01.2008, p. 397-404.

Research output: Contribution to journalArticle

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