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

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

2007-09-22

arxiv.org/abs/0709.3610v1

Molecular Physics 106, 397 (2008)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

28 pages, 4 figures

Scientific paper

10.1080/00268970701837784

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

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