MCW07 Modeling Charging-based Switching in Molecular Transport Junctions
23 Aug 2007 | Online Presentations | Contributor(s): Sina Yeganeh, Misha Galperin, Mark A. Ratner
We will discuss several proposed explanations for the switching and negative differential resistance behavior seen in some molecular junctions. It is shown that a proposed polaron model is successful in predicting both hysteresis and NDR behavior, and the model is elaborated with image charge effects and parameters from electronic structure calculations. This model includes the effects of conformational change, charging, and image charge stabilization.
Sina Yeganeh is a graduate student ...
MCW07 Simple Models for Molecular Transport Junctions
13 Sep 2007 | Online Presentations | Contributor(s): Misha Galperin, Abraham Nitzan, Mark A. Ratner
We review our recent research on role of interactions in molecular transport junctions. We consider simple models within nonequilibrium Green function approach (NEGF) in steady-state regime.
Molecular Transport Structures: Elastic Scattering, Vibronic Effects and Beyond
13 Feb 2006 | Online Presentations | Contributor(s): Mark A. Ratner, Abraham Nitzan, Misha Galperin
Current experimental efforts are clarifying quite beautifully the nature of charge transport in so-called molecular junctions, in which a single molecule provides the channel for current flow between two electrodes. The theoretical modeling of such structures is challenging, because of the uncertainty of geometry, the nonequilibrium nature of the process, and the variety of available mechanisms. The talk will center on the first formulation of the problem in terms of scattering theory, and then on the generalizations needed to make that simple picture relevant to the real experimental situation. These include vibronic coupling, structural disorder and energy transfer. Some comments will be made on possible switching and rectification schemes.