Theoretical study of a molecular junction with asymmetric current/voltage characteristics

Chemical Physics Letters

Volumn 549, Issue , 2012, Pages 1-5

  Barone, Vincenzo ^a   Cacelli, Ivo ^b   Ferretti, Alessandro ^c   Visciarelli, Michele ^a,c  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b UNIVERSITY OF PISA   (Italy)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC CURRENTS; CHARACTERISTIC CURVE; ENERGY SHIFT; FRONTIER ORBITALS; MOLECULAR FRAGMENTS; MOLECULAR JUNCTION; MOLECULAR LEVELS; MOLECULAR SPECIES; NON-EQUILIBRIUM GREEN FUNCTIONS; ORBITALS; SINGLE MOLECULE DIODES; THEORETICAL STUDY;

CURVE FITTING; GREEN'S FUNCTION;

MOLECULES;

EID: 84866670771     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.08.077     Document Type: Article

References (41)

1. R.P. Feynmann Eng. Sci. 23 1960 22
2. M. Di Ventra Electrical Transport in Nanoscale Systems 2008 Cambidge University Press Cambridge
3. S. Datta Quantum Transport: Atom to Transistor 2005 Cambridge University Press Cambridge
4. G. Cuniberti, G. Fagas, and K. Richter Introducing Molecular Electronics 2005 Springer Heidelberg
5. J.C. Cuevas, and E. Scheer Molecular Electronics: An Introduction to Theory and Experiment 2010 World Scientific Singapore
6. A. Nitzan, and M.A. Ratner Science 300 2003 1384
7. S. Lindsay, and M.A. Ratner Adv. Mater. 19 2007 23
8. Y. Xue, S. Datta, and M.A. Ratner Chem. Phys. 281 2002 151
9. P. Delaney, and J.C. Greer Phys. Rev. Lett. 93 2004 036805
10. M. Strange, C. Rostgaard, H. Häkkinen, and K.S. Thygesen Phys. Rev. B 83 2011 115108
11. M. Strange, and K.S. Thygesen Beilstein J. Nanotechnol. 2 2011 746
12. C.G. Sánchez, M. Stamenova, S. Sanvito, D.R. Bowler, A.P. Horsfield, and T.N. Todorov J. Chem. Phys. 124 2006 214708
13. G. Stefanucci Lect. Notes Phys. 706 2006 479
14. K. Varga Phys. Rev. B 83 2011 195130
15. R. Härtle, and M. Thoss Phys. Rev. B 83 2011 115414
16. S. Franzen Chem. Phys. Lett. 381 2003 315
17. A. Ricca Chem. Phys. Lett. 372 2003 873
18. Y. Karzazi, X. Crispin, O. Kwon, J.L. Brédas, and J. Cornil Chem. Phys. Lett. 387 2004 502
19. C. Majumder, T. Briere, H. Mizuseki, and Y. Kawazoe J. Chem. Phys. 117 2002 7669
20. N.D. Lang, and M. Di Ventra Phys. Rev. B 65 2001 045402
21. C.-K. Wang, Y. Fu, and Y. Luo Phys. Chem. Chem. Phys. 3 2001 5017
22. T. Tada, M. Kondo, and K. Yoshizawa J. Chem. Phys. 121 2004 8050
23. J.J. Palacios, A.J. Peréz-Jiménez, E. Louis, E. SanFabián, J.A. Vergés, Y. Garciá, in: J. Leszczynski (Ed.), Computational Chemistry: Reviews of Current Trends World Scientific, 2003.
24. E. Louis, J.A. Vergés, J.J. Palacios, A.J. Peréz- Jiménez, and E. SanFabián Phys. Rev. B 67 2003 155321
25. M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro Phys. Rev. B 65 2002 165401
26. H. Nakamura, and K. Yamashita J. Chem. Phys. 125 2006 194106
27. C. Gonzalez, Y. Simon-Manso, J. Batteas, M. Marquez, M.A. Ratner, and V. Mujica J. Phys. Chem. B 108 2004 18414
28. A. Aviram, and M.A. Ratner Chem. Phys. Lett. 29 1974 277
29. V. Mujica, M.A. Ratner, and A. Nitzan Chem. Phys. 28 2002 147
30. M. Elbing, R. Ochs, M. Koentopp, M. Fischer, C. von Hänisch, F. Weigend, and F.W. Evers PNAS 102 2005 8815
31. H. He, R. Pandey, G. Mallik, and S.P. Karna J. Phys. Chem. C 113 2009 1575
32. Y. Asai, H. Nakamura, J. Hihath, C. Bruot, and N. Tao Phys. Rev. B 84 2011 115436
33. N. Armstrog, C.H. Rainer, A. McDonagh, M.B. Cortie, and M.J. Ford Nano Lett. 7 2007 3018
34. K. Stokbro, J. Taylor, M. Brandbyge, J.-L. Mozos, and P. Ordejon Computational Material Science 27 2003 151
35. P. Damle, A.W. Ghosh, and S. Datta Chem. Phys. 281 2002 171
36. F. Zahind, M. Paulsson, S. Datta, in: A. Press (Ed.), Advanced Semiconductor and Organic Nano-techniques (III), H. Morkoc 2003.
37. C. Gonzales, Y. Simon-Manso, J. Batteas, M. Marquez, M.A. Ratner, and V. Mujica J. Phys. Chem. B 108 2004 18414
38. I. Cacelli, A. Ferretti, M. Girlanda, and M. Macucci Chem. Phys. 333 2007 26
39. M.A. Reed, C. Zhou, C.J. Muller, T.P. Burgin, and J.M. Tour Science 278 1997 252
40. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 299
41. M.J. Frisch et al., Gaussian09, Gaussian, Inc., Wallingford CT, 2009.