2007/09/22 by Michael Galperin, Abraham Nitzan, Mark A. Ratner · 1 citation
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Magnetism in coordination complexes #Molecular Junctions and Nanostructures #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1080/00268970701837784
published as Molecular Physics 106, 397 (2008) · 28 pages, 4 figures
arxiv created 2007/09/22 · openalex publication_date 2008/02/01 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/29
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)].