Hostname: page-component-8448b6f56d-c47g7 Total loading time: 0 Render date: 2024-04-19T04:16:37.460Z Has data issue: false hasContentIssue false
  • English
  • Français

Ab Initio Modeling of Contact Structure Formation of Carbon Nanotubes and Its Effect on Electron Transport

Published online by Cambridge University Press:  01 February 2011

Weiqi Luo ,
Karthik Ravichandran ,
Wolfgang Windl  and
Leonardo R.C. Fonseca
Weiqi Luo
Affiliation:
luo.53@osu.edu, The Ohio State University, Department of Materials Science and Engineering, 2041 College Road, Columbus, OH, 43210, United States
Karthik Ravichandran
Affiliation:
ravichandran.3@osu.edu, The Ohio State University, Columbus, OH, 43210, United States
Wolfgang Windl
Affiliation:
windl.1@osu.edu, The Ohio State University, Columbus, OH, 43210, United States
Leonardo R.C. Fonseca
Affiliation:
fonseca@vonbraunlabs.com.br, Universidade Estadual de Campinas, Campinas, 13083-870, Brazil
Get access

Abstract

Carbon nanotube (CNT) devices are studied as a possible alternative to the current silicon based CMOS technology. The contacts between CNTs and metal electrodes in such devices exert great influence on the device performance. In this study, ab-initio temperature accelerated dy-namics are performed to study the contact formation between CNTs and Ti electrodes. Results indicate that CNTs undergo significant structural deformation, resulting in a significant decrease of the device conductance. This finding may explain the discrepancy between experimental and simulated results in molecular devices. However, more effects may need to be taken into account as we discuss for the example of the size effect of CNTs.

Keywords

nanoscaleelectrical propertiesC
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1081: Symposium P – Carbon Nanotubes and Related Low-Dimensional Materials , 2008 , 1081-P07-25
Copyright
Copyright © Materials Research Society 2008

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

1. Nitzan, A. and Ratner, M.A., Science, 2003. 300: p. 1384.Google Scholar
2. Ghosh, A.W. and Datta, S., J. Comput. Electron., 2002. 1: p. 515.Google Scholar
3. Wind, S.J., et al. , Journal of Vacuum Science & Technology B, 2003. 21(6): p. 2856–2859.Google Scholar
4. Javey, A., et al. , Nature, 2003. 424(6949): p. 654–657.Google Scholar
5. Ventra, M.D., Pantelides, S.T., and Lang, N.D., Phys. Rev. Lett., 2000. 84: p. 979.Google Scholar
6. Reed, M.A., Proceedings of the Ieee, 1999. 87(4): p. 652–658.Google Scholar
7. Voter, A.F., Montalenti, F., and Germann, T.C., Annual Review of Materials Research, 2002. 32: p. 321–346.Google Scholar
8. Datta, S., Electronic Transport in Mesoscopic Systems. 1995, Cambridge, MA: Cambridge University Press.Google Scholar
9. Zhang, X., Fonseca, L., and Demkov, A.A., Physica Status Solidi B-Basic Research, 2002. 233(1): p. 70–82.Google Scholar
10. Kresse, G. and Hafner, J., Phys. Rev. B, 1993. 47: p. 558.Google Scholar
11. Kresse, G. and Hafner, J., Phys. Rev. B, 1994. 49: p. 14251.Google Scholar
12. Blochl, P.E., Phys. Rev. B, 1994. 50: p. 17953.Google Scholar
13. Perdew, J.P. and Wang, Y., Phys. Rev. B, 1992. 45: p. 13244.Google Scholar
14. Tibbetts, G.G., Journal of Crystal Growth, 1984. 66(3): p. 632–638.Google Scholar