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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

Mads Brandbyge ,
Kurt Stokbro ,
Jeremy Taylor ,
Jose-Luis Mozos  and
Pablo Ordejón
Mads Brandbyge
Affiliation:
Mikroelektronik Centret, Technical University of Denmark, Lyngby, Denmark
Kurt Stokbro
Affiliation:
Mikroelektronik Centret, Technical University of Denmark, Lyngby, Denmark
Jeremy Taylor
Affiliation:
Mikroelektronik Centret, Technical University of Denmark, Lyngby, Denmark
Jose-Luis Mozos
Affiliation:
Institut de Ciencia de Materials de Barcelona - CSIC Campus de la U.A.B., Spain
Pablo Ordejón
Affiliation:
Institut de Ciencia de Materials de Barcelona - CSIC Campus de la U.A.B., Spain
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 636: Symposium D – Nonlithographic and Lithographic Methods of Nanofabrication-From Ultralarge Scale , 2000 , D9.25.1
Copyright
Copyright © Materials Research Society 2001

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References

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