The benzene molecule as a molecular resonant-tunneling transistor
Appl. Phys. Lett. 76, 3448 (2000); doi:10.1063/1.126673
Issue Date: 5 June 2000
You are not logged in to this journal. Log in
Experiments and theory have so far demonstrated that single molecules can form the core of a two-terminal device. Here we report first-principles calculations of transport through a benzene-1, 4-dithiolate molecule with a third capacitive terminal (gate). We find that the resistance of the molecule rises from its zero-gate-bias value to a value roughly equal to the quantum of resistance (12.9 k
) when resonant tunneling through the
* antibonding orbitals occurs. ©2000 American Institute of Physics.
) when resonant tunneling through the
* antibonding orbitals occurs. ©2000 American Institute of Physics.
| History: | Received 3 February 2000; accepted 11 April 2000 |
| Permalink: |
http://link.aip.org/link/?APPLAB/76/3448/1 |
REFERENCES (20)
For access to fully linked references, you need to log in.
For access to fully linked references, you need to Log in.
- See, e.g., A. Aviram and M. A. Ratner,
Chem. Phys. Lett. 29, 277 (1974) . - D. H. Waldeck and D. N. Beratan,
Science 261, 576 (1993) ; - A. S. Martin, J. R. Sambles, and G. J. Ashwell, Phys. Rev. Lett. 70, 218 (1993).
- M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour,
Science 278, 252 (1997) ;
J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, - D. L. Klein, P. L. McEuen, J. E. Bowen Katari, R. Roth, and A. P. Alivisatos, Appl. Phys. Lett. 68, 2574 (1996).
- J. W. G. Wildoer, L. C. Venema, A. G. Rinzler, R. E. Smalley, and C. Dekker,
Nature (London) 391, 59 (1998) . - R. Martel, T. Schmidt, H. R. Shea, T. Hertel, and Ph. Avouris, Appl. Phys. Lett. 73, 2447 (1998).
- M. V. Fischetti, Phys. Rev. Lett. 53, 1755 (1984).
- W. B. Davis, W. A. Svec, M. A. Ratner, and M. R. Wasielewski,
Nature (London) 396, 60 (1998) . - M. P. Samanta, W. Tian, S. Datta, J. I. Henderson, and C. P. Kubiak, Phys. Rev. B 53, R7626 (1996).
- P. Delaney, M. Di Ventra, and S. T. Pantelides, Appl. Phys. Lett. 75, 3787 (1999);
- M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 84, 979 (2000).
- The disks have radius 4 Å and are kept at a distance of 7.4 Å. In this way, the capacitance field covers the entire region of the molecule without leakage into the source and drain electrodes.
- N. D. Lang, Phys. Rev. B 52, 5335 (1995);
- See, e.g., N. D. Lang, in Solid State Physics, edited by F. Seitz, D. Turnbull, and H. Ehrenreich (Academic, New York, 1973), Vol. 28, p. 225.
- The
and
* states are formed by p orbitals perpendicular to the molecule plane. These states are thus even with respect to the gate field direction. - See, e.g., B. H. Bransden and C. J. Joachain, in Physics of Atoms and Molecules (Longman Group Limited, New York, 1983), p. 377.
- M. Di Ventra and S. T. Pantelides, Phys. Rev. B 59, R5320 (1999).
- See, e.g., J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
- M. Sassoli de Bianchi and M. Di Ventra, J. Math. Phys. 36, 1753 (1995).
- This charge has been calculated as the difference between the charge of the total system and the charge of the bare electrodes, integrating between the right and left Fermi levels in a volume of 8.3×8.3×11.9 Å3. This volume comprises most of the potential induced by the presence of the molecule.







