Ab initio study of single-molecule rotation switch based on nonequilibrium Green's function theory

Journal of Chemical Physics

Volumn 127, Issue 8, 2007, Pages

  Liang, Y Y ^a   Jiang, F ^a   Zhou, Y X ^a   Chen, H ^a   Note, R ^b   Mizuseki, H ^b   Kawazoe, Y ^b  

^a FUDAN UNIVERSITY   (China)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE CARRIERS; CURRENT VOLTAGE CHARACTERISTICS; ELECTRIC FIELDS; GREEN'S FUNCTION; MOLECULAR STRUCTURE;

BISTABLE MOLECULAR SWITCHES; GEOMETRY STRUCTURES; SWITCHING BEHAVIOR;

MOLECULAR ELECTRONICS;

EID: 34548431054     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2771156     Document Type: Article

References (48)

1. S. Datta, Electronic Transport in Mesoscopic Systems (Cambridge University Press, Cambridge, 1995).
2. A. Aviram and M. A. Ratner, Chem. Phys. Lett. 29, 277 (1974).
3. M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science 278, 252 (1997).
4. D. I. Gittins, D. Bethell, D. J. Schriffrin, and R. J. Nichols, Nature (London) 408, 67 (2000).
5. N. B. Zhitenev, H. Meng, and Z. Bao, Phys. Rev. Lett. 88, 226801 (2002).
6. J. Park, A. N. Pasupathy, J. I. Goldsmith, C. Chang, Y. Yaish, J. R. Petta, M. Rinkoski, J. P. Sethna, H. D. Abruna, P. L. McEuen, and D. C. Ralph, Nature (London) 417, 722 (2002).
7. W. Liang, M. P. Shores, M. Bockrath, J. R. Long, and H. Park, Nature (London) 417, 725 (2002).
8. R. H. M. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. van Hemert, and J. M. van Ruitenbeek, Nature (London) 419, 906 (2002).
9. J. Reichert, R. Ochs, D. Beckmann, H. B. Weber, M. Mayor, and H. v. Löhneysen, Phys. Rev. Lett. 88, 176804 (2002).
10. R. H. M. Smit, C. Untiedt, G. R. Bollinger, R. C. Segers, and J. M. van Ruitenbeek, Phys. Rev. Lett. 91, 076805 (2003).
11. D. Dulić, S. J. van der Molen, T. Kudernac, H. T. Jonkman, J. J. D. de Jong, T. N. Bowden, J. van Esch, B. L. Feringa, and B. J. van Wees, Phys. Rev. Lett. 91, 207402 (2003).
12. B. Xu, X. Xiao, and N. J. Tao, J. Am. Chem. Soc. 125, 16164 (2003).
13. X. Xiao, B. Xu, and N. J. Tao, Nano Lett. 4, 267 (2004).
14. W. Tian, S. Datta, S. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, J. Chem. Phys. 109, 2874 (1998).
15. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 84, 979 (2000).
16. Y. Xue and M. A. Ratner, Phys. Rev. B 68, 115406 (2003).
17. P. S. Damle, A. W. Ghosh, and S. Datta, Phys. Rev. B 64, 201403 (R) (2001).
18. P. Damle, A. W. Ghosh, and S. Datta, Chem. Phys. 281, 171 (2002).
19. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
20. M. Brandbyge, J. L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002).
21. K. Stokbro, J. Taylor, M. Brandbyge, J. L. Mozos, and P. Ordejón, Comput. Mater. Sci. 27, 151 (2003).
22. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science 286, 1550 (1999).
23. H. Chen, J. Q. Lu, J. Wu, R. Note, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B 67, 113408 (2003).
24. E. R. Kay, D. A. Leigh, and F. Zerbetto, Angew. Chem., Int. Ed. 46, 72 (2007).
25. M. A. Reed and J. M. Tour, Sci. Am. 282, 86 (2000).
26. F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe, Phys. Lett. A 359, 487 (2006).
27. A. Troisi and M. A. Ratner, J. Am. Chem. Soc. 124, 14528 (2002).
28. A. Troisi and M. A. Ratner, Nano Lett. 4, 591 (2004).
29. P. E. Kornilovitch, A. M. Bratkovsky, and R. S. Williams, Phys. Rev. B 66, 245413 (2002).
30. P. Kornilovitch, A. Bratkovsky, and S. Williams, Ann. N.Y. Acad. Sci. 1006, 198 (2003).
31. X. Zheng, M. E. Mulcahy, D. Horinek, F. Galeotti, T. F. Magnera, and J. Michl, J. Am. Chem. Soc. 126, 4540 (2004).
32. K. Hoki, M. Yamaki, S. Koseki, and Y. Fujimura, J. Chem. Phys. 118, 497 (2003).
33. K. Hoki, M. Yamaki, S. Koseki, and Y. Fujimura, J. Chem. Phys. 119, 12393 (2003).
34. J. Vacek and J. Michl, Proc. Natl. Acad. Sci. U.S.A. 98, 5481 (2001).
35. J. Michl and T. F. Magnera, Proc. Natl. Acad. Sci. U.S.A. 99, 4788 (2002).
36. M. J. Frisch, G. W. Trucks, H. Schlegel, GAUSSIAN 03, Revision B. 04, Gaussian, Inc., Pittsburgh, PA, 2003.
37. F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B 72, 155408 (2005).
38. S. Datta, Superlattices Microstruct. 28, 253 (2000).
39. S. T. Pantelides and J. Pollmann, J. Vac. Sci. Technol. 16, 1349 (1979).
40. R. Landauer, IBM J. Res. Dev. 1, 233 (1957).
41. R. Hoffman, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures (VCH, New York, 1988).
42. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985).
43. W. R. Wadt and P. J. Hay, J. Chem. Phys. 82, 284 (1985).
44. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
45. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
46. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
47. J. M. Seminario, A. G. Zacharias, and J. M. Tour, J. Am. Chem. Soc. 121, 411 (1998).
48. H. Sellers, A. Ulman, Y. Shnidman, and J. E. Eilers, J. Am. Chem. Soc. 115, 9389 (1993).