Impacts of metal electrode and molecule orientation on the conductance of a single molecule

Applied Physics Letters

Volumn 85, Issue 24, 2004, Pages 5992-5994

  Geng, W T ^a   Nara, Jun ^a   Ohno, Takahisa ^a,b  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ORIENTATION; ELECTRIC CONDUCTANCE; ELECTRODES; FERMI LEVEL; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR JUNCTIONS;

METAL ELECTRODES; MOLECULAR ORBITALS; MOLECULE ORIENTATION; TRANSMISSION RESONANCE;

NANOSTRUCTURED MATERIALS;

EID: 20444467690     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1836872     Document Type: Article

References (26)

1. P. Sautet and C. Joachim, Chem. Phys. Lett. 153, 511 (1988).
2. C. Joachim and J. F. Vinuesa, Europhys. Lett. 33, 635 (1996).
3. M. Magoga and C. Joachim, Phys. Rev. B 56, 4722 (1997).
4. S. N. Yaliraki, M. Kemp, and M. A. Ratner, J. Am. Chem. Soc. 121, 3428 (1999).
5. Y. Xue and M. A. Ratner, Phys. Rev. B 68, 115407 (2003).
6. M. Di Ventra and N. D. Lang, Phys. Rev. B 65, 045402 (2001).
7. J. Nara, H. Kino, N. Kobayashi, M. Tsukada, and T. Ohno, Thin Solid Films 438, 221 (2003).
8. J. M. Seminario, C. E. De La Cruz, and P. A. Derosa, J. Am. Chem. Soc. 123, 5616 (2001).
9. M. A. Reed, C. Chou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science 278, 252 (1997).
10. J. Reichert, R. Ochs, D. Beckmann, H. B. Weber, M. Mayor, and H. v. Löhneysen, Phys. Rev. Lett. 88, 176804 (2002).
11. L. J. Wan, M. Terashima, H. Noda, and M. Osawa, J. Phys. Chem. B 104, 3563 (2000).
12. J. Nara, S. Higai, Y. Morikawa, and T. Ohno, J. Chem. Phys. 120, 6705 (2004).
13. P. E. Kornilovitch and A. M. Bratkovsky, Phys. Rev. B 64, 195413 (2001).
14. Y. Luo, C. K. Wang, and Y. Fu, J. Chem. Phys. 117, 10283 (2002).
15. W. T. Geng, J. Nara, and T. Ohno, Thin Solid Films 464, 379 (2004).
16. T. Hayashi, Y. Morikawa, and H. Nozoye, J. Chem. Phys. 114, 7615 (2001).
17. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
18. J. Nara, W. T. Geng, H. Kino, N. Kobayashi, and T. Ohno, J. Chem. Phys. 121, 6485 (2004).
19. N. Kobayashi, M. Aono, and M. Tsukada, Phys. Rev. B 64, 121402 (2001).
20. This assumption is justified by further relaxations directed by the calculated atomic forces for systems based on Pt.
21. Y. Leng, D. J. Keffer, and P. T. Cummings, J. Phys. Chem. B 107, 11940 (2003).
22. In solving the Lippmann-Schwinger equation, the electronic states, and consequently the transmission coefficients, were decomposed into eigenchannels based on the symmetry of the wave function in the x-y plane.
23. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science 286, 1550 (1999).
24. C. P. Collier, G. Mattersteig, E. W. Wong, Y. Luo, K. Beverly, J. Sampaio, F. M. Raymo, J. F. Stoddart, and J. R. Heailth, Science 289, 1172 (2000).
25. Z. J. Donhauser, B. A. Mantooth, K. F. Kelly, L. A. Bumm, J. D. Monnell, J. J. Stapleton, D. W. Price Jr., A. M. Rawlett, D. L. Allara, J. M. Tour, and P. S. Weiss, Science 292, 2303 (2001).
26. E. G. Emberly and G. Kirczenow, Phys. Rev. Lett. 91, 188301 (2003).