Engineering model of a biased metal–molecule–metal junction

Caussanel, M; Schrimpf, R; Tsetseris, L; Evans, M; Pantelides, S

dc.contributor.author	Caussanel, M	en
dc.contributor.author	Schrimpf, R	en
dc.contributor.author	Tsetseris, L	en
dc.contributor.author	Evans, M	en
dc.contributor.author	Pantelides, S	en
dc.date.accessioned	2014-03-01T01:55:58Z
dc.date.available	2014-03-01T01:55:58Z
dc.date.issued	2007	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/27890
dc.subject	Circuit Simulation	en
dc.subject	Density Function Theory	en
dc.subject	Device Modeling	en
dc.subject	Experimental Data	en
dc.subject	i-v characteristic	en
dc.subject	Molecular Electronics	en
dc.subject	Quantum Mechanics	en
dc.title	Engineering model of a biased metal–molecule–metal junction	en
heal.type	journalArticle	en
heal.identifier.primary	10.1007/s10825-007-0151-9	en
heal.identifier.secondary	http://dx.doi.org/10.1007/s10825-007-0151-9	en
heal.publicationDate	2007	en
heal.abstract	Molecular electronic devices show promise for future applications, but assessment of their utility is limited by the lack of physically based engineering models. In this paper, quantum-mechanical results obtained with density-functional theory (DFT) are used as a starting point to construct an efficient device-level model of a prototype molecular electronic device consisting of a metal/benzene-1,4-dithiolate/metal junction. This model is based	en
heal.journalName	Journal of Computational Electronics	en
dc.identifier.doi	10.1007/s10825-007-0151-9	en