Energy alignment induced negative differential resistance: The role of hybrid states in aromatic molecular devices

Journal of Chemical Physics

Volumn 129, Issue 7, 2008, Pages

  Fan, Wei ^a,b   Zhang, R Q ^a,c   Rocha, A Reily ^d   Sanvito, Stefano ^d  

^a TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^d TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSPORT PROPERTIES; TRANSPORT PROPERTIES;

AROMATIC MOLECULES; HYBRID STATES; MOLECULAR DEVICES; NEGATIVE DIFFERENTIAL RESISTANCES;

AROMATIC COMPOUNDS;

BENZENE DERIVATIVE; THIOL DERIVATIVE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; QUANTUM THEORY; SURFACE PROPERTY;

ALGORITHMS; BENZENE DERIVATIVES; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; QUANTUM THEORY; SULFHYDRYL COMPOUNDS; SURFACE PROPERTIES;

EID: 50249124843     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2971176     Document Type: Article

References (39)

1. C. Joachim, J. K. Gimzewski, and A. Aviram, Nature (London) 0028-0836 10.1038/35046000 408, 541 (2000).
2. J. R. Heath and M. A. Ratner, Phys. Today 56 (5), 43 (2003). 0031-9228
3. A. Nitzan and M. A. Ratner, Science 0036-8075 10.1126/science.1081572 300, 1384 (2003).
4. E. G. Emberly and G. Kirczenow, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.91.188301 91, 188301 (2003).
5. P. Bai, S. Yang, E. Liu, and E. Li, Proceedings of the Third IEEE Conference Nanotechnology, 2003 (unpublished), Vol. 2, p. 323.
6. R. Pati, L. Senapati, P. M. Ajayan, and S. K. Nayak, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68.100407 68, 100407 (R) (2003).
7. R. H. Mathews and J. P. Sage, Proc. IEEE 0018-9219 10.1109/5.752517 87, 596 (1999).
8. Z. Yao, H. W. C. Postman, L. Balents, and C. Dekker, Nature (London) 0028-0836 10.1038/46241 402, 273 (1999).
9. S. Sanvito, J. Mater. Chem. 0959-9428 10.1039/b709482p 17, 4455 (2007).
10. J. R. Petta, S. K. Slater, and D. C. Ralph, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.136601 93, 136601 (2004).
11. Z. H. Xiong, D. Wu, Z. V. Vardeny, and J. Shi, Nature (London) 0028-0836 10.1038/nature02325 427, 821 (2004).
12. R. Liu, S. H. Ke, W. T. Yang, and H. U. Baranger, J. Chem. Phys. 0021-9606 10.1063/1.2796151 127, 141104 (2007).
13. S. D. Wang, Z. Z. Sun, N. Cue, H. Q. Xu, and X. R. Wang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.125307 65, 125307 (2002).
14. C. K. Chiang, C. R. Fincher, Jr., Y. W. Park, A. J. Heeger, H. Shirakawa, E. J. Louis, S. C. Gau, and A. G. MacDiarmid, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.39.1098 39, 1098 (1977).
15. S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe, J. Phys. Chem. C 1932-7447 10.1021/jp074294n 111, 15397 (2007).
16. B. Y. Choi, S. J. Kahng, S. Kim, H. Kim, and H. W. Kim, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.96.156106 96, 156106 (2006).
17. L. Venkataraman, J. E. Klare, C. Nuckolls, M. S. Hybersten, and M. L. Steigerwald, Nature (London) 0028-0836 10.1038/nature05037 442, 904 (2006).
18. M. Del Valle, R. Gutierrez, C. Tejedor, and G. Cuniberti, Nat. Nanotechnol. 2, 176 (2007).
19. S. H. Ke, H. U. Baranger, and W. T. Yang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.99.146802 99, 146802 (2007).
20. W. Kim, S. Kwon, and K. Kim, Phys. Rev. B 0163-1829 10.1103/PhysRevB.76. 033415 76, 033415 (2007).
21. X. Q. Shi, X. H. Zheng, Z. X. Dai, Y. Wang, and Z. Zeng, J. Phys. Chem. B 1089-5647 10.1021/jp046349g 109, 3334 (2005).
22. Z. X. Dai, X. Q. Shi, X. H. Zheng, and Z. Zeng, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.045411 73, 045411 (2006).
23. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science 0036-8075 10.1126/science.286.5444.1550 286, 1550 (1999).
24. J. M. Seminario, A. G. Zacarias, and J. M. Tour, J. Am. Chem. Soc. 0002-7863 10.1021/ja992936h 122, 3015 (2000).
25. J. Taylor, M. Brandbyge, and K. Stokbro, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68.121101 68, 121101 (R) (2003).
26. M. Di Ventra, S. G. Kim, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.288 86, 288 (2001).
27. M. Galperin, M. A. Ratner, and A. Nitzan, Nano Lett. 1530-6984 10.1021/nl048216c 5, 125 (2005).
28. R. Pati, M. McClain, and A. Bandyopadhyay, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.100.246801 100, 246801 (2008).
29. H. Dalgleish and G. Kirczenow, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.245431 73, 245431 (2006).
30. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, and O. P. Sanchez-Portal, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
31. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
32. The relaxation of the central molecules is carried out by two steps: first, terminate the sulfur atoms at the two ends with hydrogen and relax; second, we remove the hydrogen atom and deposit the relaxed molecule inside Al(100) leads and perform a constrained relaxation (we keep all the Al atoms and sulfur atoms fixed, relax all the other atoms).
33. CRC Handbook of Chemistry and Physics, 81st ed., edited by, D. R. Lide, (CRC, Boca Raton, FL, 2000).
34. D. Segal and A. Nitzan, J. Phys. Chem. B 1089-5647 10.1021/jp993260f 104, 3817 (2000).
35. A. R. Rocha, V. M. Garcia-Suarez, S. Bailey, C. J. Lambert, J. Ferrer, and S. Sanvito, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.085414 73, 085414 (2006).
36. A. R. Rocha, V. Garcia-Suarez, S. Bailey, C. J. Lambert, J. Ferrer, and S. Sanvito, Nat. Mater. 1476-1122 10.1038/nmat1349 4, 335 (2005).
37. C. M. Finch, S. Sirichantaropass, S. W. Bailey, I. M. Grace, V. M. Garcia-Suarez, and C. J. Lambert, J. Phys.: Condens. Matter 20, 0222203 (2007). 0953-8984
38. A. R. Rocha, T. Archer, and S. Sanvito, Phys. Rev. B 0163-1829 10.1103/PhysRevB.76.054435 76, 054435 (2007).
39. X. R. Wang, Y. Wang, and Z. Z. Sun, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.193402 65, 193402 (2002).