Hostname: page-component-78c5997874-xbtfd Total loading time: 0 Render date: 2024-11-18T10:26:20.685Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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 734: Symposia A/B – Defect-Mediated Phenomena in Ordered Polymers – Polymer/Metal Interfaces and Defect Mediated Phenomena in Ordered Polymers , 2002 , B6.8
Copyright
Copyright © Materials Research Society 2003

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

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