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 language | English (US) |
|---|---|
| Pages (from-to) | 397-404 |
| Number of pages | 8 |
| Journal | Molecular Physics |
| Volume | 106 |
| Issue number | 2-4 |
| DOIs | |
| State | Published - Jan 2008 |
Funding
M.G. and M.A.R. are grateful to the DARPA MoleApps program, to NSF-MRSEC, NSF-Chemistry, and the NASA-URETI programs for support. The research of A.N. is supported by the Israel Science Foundation, the US–Israel Binational Science Foundation, and the Germany–Israel Foundation. This paper is dedicated to Raphy Levine – a friend, colleague and a pioneer in our field.
Keywords
- Electron-phonon interaction
- Inelastic effects
- Molecular junctions
- Seebeck coefficient
- Thermoelectricity
ASJC Scopus subject areas
- Biophysics
- Molecular Biology
- Condensed Matter Physics
- Physical and Theoretical Chemistry