Many-body treatment of quantum transport through single molecules
Materials Science
2008-12-12 v2 Mesoscale and Nanoscale Physics
Abstract
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.
Cite
@article{arxiv.0803.2756,
title = {Many-body treatment of quantum transport through single molecules},
author = {J. P. Bergfield and C. A. Stafford},
journal= {arXiv preprint arXiv:0803.2756},
year = {2008}
}
Comments
A revised and significantly expanded treatment is given in arXiv:0812.0867