Complex-band structure: a method to determine the off-resonant electron transport in oligomers
Abstract
We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the energy spectrum of a periodic structure as a function of complex wavevector. An exact mapping to the complex wavevector is demonstrated by first-principle-based calculations of: a) the conductance of molecular junctions of phenyl-ethynylene wires covalently bonded to graphitic ribbons as a function of the bridge length, and b) the complex-band structure of poly-phenyl-ethynylene.
Keywords
Cite
@article{arxiv.cond-mat/0308114,
title = {Complex-band structure: a method to determine the off-resonant electron transport in oligomers},
author = {Giorgos Fagas and Agapi Kambili and Marcus Elstner},
journal= {arXiv preprint arXiv:cond-mat/0308114},
year = {2007}
}
Comments
version to appear in Chem Phys Lett; 8 pages, 4 figures; minor changes to the 06/08/03 submission (nomenclature and added concluding remark)