Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula
Mesoscale and Nanoscale Physics
2013-05-29 v2
Abstract
Standard first principles calculations of transport through single molecules miss exchange-correlation corrections to the Landauer formula. From Kubo response theory, both the Landauer formula and these corrections in the limit of zero bias are derived and calculations are presented.
Cite
@article{arxiv.cond-mat/0502385,
title = {Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula},
author = {Kieron Burke and Max Koentopp and Ferdinand Evers},
journal= {arXiv preprint arXiv:cond-mat/0502385},
year = {2013}
}
Comments
4 pages, 3 figures, final version to appear in Phys. Rev. B, Rapid Communications