Disorder and dephasing effect on electron transport through conjugated molecular wires in molecular junctions
Abstract
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applicational and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density-functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.
Keywords
Cite
@article{arxiv.1204.0152,
title = {Disorder and dephasing effect on electron transport through conjugated molecular wires in molecular junctions},
author = {Daijiro Nozaki and Claudia Gomes da Rocha and Horacio M. Pastawski and Gianaurelio Cuniberti},
journal= {arXiv preprint arXiv:1204.0152},
year = {2012}
}
Comments
6 pages, 7 figures, accepted for publication in Phys. Rev. B