Side-chain effects in molecular electronic devices

Journal of Chemical Physics

Volumn 123, Issue 13, 2005, Pages

  Ernzerhof, Matthias ^a   Zhuang, Min ^a   Rocheleau, Philippe ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX CURVES; MOLECULAR CONDUCTORS; MOLECULAR ELECTRONIC DEVICES; SIDE-CHAIN EFFECT;

CURVE FITTING; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC CONDUCTORS; PROBABILITY; PROBABILITY DENSITY FUNCTION;

ELECTRONIC EQUIPMENT;

EID: 26444457337     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2049249     Document Type: Article

References (26)

1. Molecular Electronics: Science and Technology, edited by, A. Aviram, and, M. Ratner, (New York Academy of Sciences, New York, 1998).
2. A. Nitzan, Annu. Rev. Phys. Chem. 52, 681 (2001).
3. A. Nitzan and M. A. Ratner, Science 300, 1384 (2003).
4. M. Ernzerhof and M. Zhuang, Int. J. Quantum Chem. 101, 557 (2005).
5. M. Zhuang, P. Rocheleau, and M. Ernzerhof, J. Chem. Phys. 122, 154705 (2005).
6. M. Zhuang and M. Ernzerhof, Phys. Rev. B 72, 073104 (2005).
7. P. Sautet and C. Joachim, Chem. Phys. Lett. 153, 511 (1988).
8. D. Walter, D. Neuhauser, and R. Baer, Chem. Phys. 299, 139 (2004).
9. M. Ernzerhof, H. Bahmann, M. Zhuang, and P. Rocheleau, J. Chem. Phys. (submitted).
10. R. Collepardo-Guevara, D. Walter, D. Neuhauser, and R. Baer, Chem. Phys. Lett. 393, 367 (2004).
11. R. Landauer, Philos. Mag. 21, 863 (1970).
12. Y. Meir and N. S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992).
13. L. E. Hall, J. R. Reimers, N. S. Hush, and K. Silverbrook, J. Chem. Phys. 112, 1510 (2000).
14. M. Ernzerhof and M. Zhuang, J. Chem. Phys. 119, 4134 (2003).
15. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
16. P. S. Damle, A. W. Ghosh, and S. Datta, Phys. Rev. B 64, 201403 (2001).
17. M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002).
18. Y. Xue, S. Datta, and M. A. Ratner, J. Chem. Phys. 115, 4292 (2001).
19. J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996).
20. M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. 110, 5029 (1999).
21. M. Ernzerhof, J. P. Perdew, and K. Burke, Int. J. Quantum Chem. 64, 285 (1997).
22. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 99, Development Version, Revision 0.9, Gaussian, Inc., Pittsburgh, PA, 1998.
23. R. B. Ross, J. M. Powers, T. Atashroo, W. C. Ermler, L. A. LaJohn, and P. A. Christiansen, J. Chem. Phys. 93, 6654 (1990).
24. R. Baer and D. Neuhauser, Chem. Phys. 281, 353 (2002).
25. F. Sols, M. Macucci, U. Ravaioli, and K. Hess, Appl. Phys. Lett. 54, 350 (1989).
26. P. S. Deo and A. M. Jayannavar, Phys. Rev. B 50, 11629 (1994).