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New Method For First Principles Modeling of Electron Transport through Nanoelectronic Devices.
Published online by Cambridge University Press: 17 March 2011
Abstract
In this paper we present a new theoretical method for modeling electron transport through nanostructures under non-equilibrium conditions. The electronic structure of the nanostructures are modeled from first principles and are described selfconsistently under the non-equilibrium conditions by means of a Green's function technique. The method is used to calculate the electron transport through benzene-dithiolate connected to two gold chains.
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- Research Article
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- Copyright © Materials Research Society 2001
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