Many-body treatment of quantum transport through single molecules

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

We develop a theoretical approach to quantum transport through single conjugated organic molecules that accurately accounts for all molecular excited and ground states via a semi-empirical many-body molecular Hamiltonian. We then calculate the linear and non-linear transport properties of a benzenedithiol molecule covalently bonded to two gold electrodes at room temperature, eliminating all free parameters by comparing the calculated thermopower and linear-conductance with experiment. The resulting `molecular diamond' structure exhibits experimentally observed many-body effects inaccessible to mean-field approaches.
A revised and significantly expanded treatment is given in arXiv:0812.0867

Keywords

Materials Science, Mesoscale and Nanoscale Physics

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/210246

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0803.2756
 http://arxiv.org/abs/0803.2756

Collections

arXiv