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Proceedings Paper

Electron tunneling through alkanedithiol molecules
Author(s): R. C. Hoft; J. Liu; M. B. Cortie; M. J. Ford
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Paper Abstract

We report on first principles calculations of the tunneling current across n-alkanedithiol molecules (n = 4,6,8,10,12) sandwiched between two Au {111} electrodes. The conductance drops exponentially with increased chain length with decay parameter βn = 0.9. The results are compared with scanning tunneling microscopy measurements on decanedithiol and with other n-alkanedithiol (n = 6,8,10) results in the literature. The theoretical results are found to be an order of magnitude larger than experimental values but follow the same trend. However, two additional, more realistic, geometries are modeled by changing the bond type and by combining the first-principles results with a Wentzel-Kramer-Brillouin (WKB) expression for tunneling across the air gap that is invariably present during scanning tunneling microscopy (STM) measurements. These results are more compatible with the experimental data.

Paper Details

Date Published: 19 January 2006
PDF: 7 pages
Proc. SPIE 6036, BioMEMS and Nanotechnology II, 603603 (19 January 2006); doi: 10.1117/12.638349
Show Author Affiliations
R. C. Hoft, Univ. of Technology Sydney (Australia)
J. Liu, Univ. of Technology Sydney (Australia)
M. B. Cortie, Univ. of Technology Sydney (Australia)
M. J. Ford, Univ. of Technology Sydney (Australia)

Published in SPIE Proceedings Vol. 6036:
BioMEMS and Nanotechnology II
Dan V. Nicolau, Editor(s)

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