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Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube

Published online by Cambridge University Press:  11 February 2011

Yongqiang Xue  and
Mark A. Ratner
Yongqiang Xue
Affiliation:
Department of Chemistry and Materials Research Center, Northwestern University, Evanston, Illinois 60208
Mark A. Ratner
Affiliation:
Department of Chemistry and Materials Research Center, Northwestern University, Evanston, Illinois 60208
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Abstract

We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green's function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 761: Symposia B/C/D/F/G/NN – Molecular Electronics , 2002 , B6.8
Copyright
Copyright © Materials Research Society 2003

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References

REFERENCES

1. Joachim, C., Gimzewski, J. K. and Aviram, A., Nature 408, 541 (2000) and references therein.Google Scholar
2. Reed, Mark A., Proc. IEEE 97, 652 (1999) and references therein.Google Scholar
3. Dekker, C., Phys. Today, page 22, May 1999.Google Scholar
4. Martel, R., Derycke, V., Lavoie, C., Appenzeller, J., Chan, K.K., Tersoff, J. and Avouris, Ph., Phys. Rev. Lett. 87, 256805 (2001).Google Scholar
5. Datta, S., Tian, W., Hong, S., Reifenberger, R., Henderson, J. J. and Kubiak, C. P., Phys. Rev. Lett. 79, 2530 (1997).Google Scholar
6. Xue, Y., Datta, S. and Ratner, M. A., J. Chem. Phys. 115, 4292 (2001).Google Scholar
7. Xue, Y., Datta, S. and Ratner, M. A., Chem. Phys. 281, 151 (2002).Google Scholar
8. Xue, Y. and Ratner, M. A., to be published.Google Scholar