Current-voltage characteristics of single molecular junction: Dimensionality of metal contacts
2003 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 119, no 9, 4923-4928 p.Article in journal (Refereed) Published
Formalisms for current-voltage (I-V) characteristics of a single molecular junction with electrodes possessing one-, two-, and three-dimensional energy distributions are derived and compared in the framework of elastic scattering theory. Model calculations on a device constituted of 1,4 benzene-dithiolate molecule chemically bonded to two gold electrodes are carried out using hybrid density functional theory. It is shown that the dimensionality of metal contacts has a strong effect on the I-V characteristics of the molecular junction, in particular the shape of the conductance curves. Good agreement with experimental I-V curves has been found for the case of the three-dimensional electron system.
Place, publisher, year, edition, pages
2003. Vol. 119, no 9, 4923-4928 p.
transport-properties, carbon nanotube, conductance, wires, resistance, formalism, device, model
IdentifiersURN: urn:nbn:se:kth:diva-22747DOI: 10.1063/1.1597197ISI: 000184775200037OAI: oai:DiVA.org:kth-22747DiVA: diva2:341445
QC 201005252010-08-102010-08-10Bibliographically approved