A new approach to the realization and control of negative differential resistance in single-molecule nanoelectronic devices: Designer transition metal-thiol interface states

Nano Letters

Volumn 6, Issue 6, 2006, Pages 1274-1278

  Dalgleish, Hugh ^a   Kirczenow, George ^a  

^a SIMON FRASER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

INTERFACES (MATERIALS); MOLECULAR STRUCTURE; NANOSTRUCTURED MATERIALS; NITROGEN COMPOUNDS; POWER ELECTRONICS; SURFACE STRUCTURE;

INTERFACE STATES; NANOELECTRODE TRANSITION; NANOELECTRONIC DEVICES; NEGATIVE DIFFERENTIAL RESISTANCE (NDR);

ELECTRIC RESISTANCE;

NANOMATERIAL; THIOL DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRONICS; EQUIPMENT; EQUIPMENT DESIGN; IMPEDANCE; INSTRUMENTATION; MATERIALS TESTING; METHODOLOGY; MICROELECTRODE; NANOTECHNOLOGY; SEMICONDUCTOR; SURFACE PROPERTY;

COMPUTER SIMULATION; ELECTRIC IMPEDANCE; ELECTRONICS; EQUIPMENT DESIGN; EQUIPMENT FAILURE ANALYSIS; MATERIALS TESTING; MICROELECTRODES; MODELS, CHEMICAL; NANOSTRUCTURES; NANOTECHNOLOGY; SEMICONDUCTORS; SULFHYDRYL COMPOUNDS; SURFACE PROPERTIES;

EID: 33745494305     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl060040m     Document Type: Article

References (46)

1. Brown, E. R.; Söderström, J. R.; Parker, C. D.; Mahoney, L. J.; Molvar, K. M.; McGill, T. C. Appl. Phys. Lett. 1991, 58, 2291-2293.
2. Broekaert, T. P. E.; Brar, B.; van der Wagt, J. P. A.; Seabaugh, A. C.; Morris, F. J.; Moise, T. S.; Beam, E. A., III; Frazier, G. A. IEEE J. Solid State Circuits 1998, 33, 1342-1349.
3. Mathews, R. H.; Sage, J. P.; Sollner, T. C. L. G.; Calawa, S. D.; Chen, C.-L.; Mahoney, L. J.; Maki, P. A.; Molvar, K. M. Proc. IEEE 1999, 87, 596-605.
4. Chen, J.; Reed, M. A.; Rawlett, A. M.; Tour, J. M. Science 1999, 286, 1550-1552.
5. Chen, J.; Wang, W.; Reed, M. A.; Rawlett, A. M.; Price, D. W.: Tour, J. M. Appl. Phys. Lett. 2000, 77, 1224-1226.
6. Xue, Y.; Datta, S.; Hong, S.; Reifenberger, R.; Henderson, J. I.; Kubiak, C. K. Phys. Rev. B 1999, 59, R7852-R7855.
7. Rawlett, A. M.; Hopson, T. J.; Nagahara, L. A.; Tsui, R. K.; Ramachandran, G. K.; Lindsay, S. M. Appl. Phys. Lett. 2002, 81, 3043-3045.
8. Khondaker, S. I.; Yao, Z.; Cheng, L.; Henderson, J. C.; Yao, Y.; Tour, J. M. Appl. Phys. Lett. 2004, 85, 645-647.
9. Gergel, N.; Majumdar, N.; Keyvanfar, K.; Swami, N.; Harriott, L. R.; Bean, J. C.; Pattanaik, G.; Zangari, G.; Yao, Y.; Tour, J. M. J. Vac. Sci. Technol., A 2005, 23, 880-885.
10. Seminario, J. M.; Zacarias, A. G.; Tour, J. M. J. Am. Chem. Soc. 1998, 120, 3970-3974.
11. Seminario, J. M.; Zacarias, A. G.; Tour, J. M. J. Am. Chem. Soc. 2000, 122, 3015-3020.
12. Seminario, J. M.; Zacarias, A. G.; Derosa, P. D. J. Phys. Chem. A 2001, 105, 791-795.
13. Emberly, E. G.; Kirczenow, G. Phys. Rev. B 2001, 64, 125318.
14. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2002, 88, 046801.
15. Cornil, J.; Karzazi, Y.; Brédas, J. L. J. Am. Chem. Soc. 2002, 124, 3516-3517.
16. Taylor, J.; Brandbyge, M.; Stokbro, K. Phys. Rev. B 2003, 68, 121101(R).
17. Rakshit, T.; Liang, G.-C.; Ghosh, A. W.; Datta, S. Nano Lett. 2004, 4, 1803.
18. Lau C. N.; Stewart D. R.; Williams R. S.; Bockrath M. Nano Lett. 2004, 4, 569.
19. Yu, L. H.; Natelson, D. Nanotechnology 2004, 15, S517-S524.
20. Larade, B.; Bratkovsky, A. M. Phys. Rev. B 2005, 72, 035440.
21. Gaudioso, J.; Lauhon, L. J.; Ho, W. Phys. Rev. Lett. 2000, 85, 1918-1921.
22. Lakshmi, S.; Pati, S. K. J. Chem. Phys. 2004, 121, 11998-12004.
23. Galperin M.; Ratner M. A.; Nitzan A. Nano Lett. 2005, 5, 125-130.
24. Our calculated transmissions and currents scale with the alkane chain length. Thus we predict NDR to also occur also for other alkane dithiol molecules bridging the same pairs of metal contacts.
25. Dalgleish, H.; Kirczenow, G. Phys. Rev. B 2005, 72, 155429.
26. Dalgleish, H.; Kirczenow, G. Phys. Rev. B 2005, 72, 184407.
27. The Gaussian 03 package (Rev. B.05) was used with the B3PW91 density functional and the Lanl2DZ basis set.
28. Papaconstantopoulos, D. A. Handbook of the Band Structure of Elemental Solids; Plenum Press: New York, 1986.
29. 27 However, since the interface states (that are responsible for the transport penomena discussed here) are pinned to maxima of the transition metal densities of states, our qualitative predictions regarding NDR are independent of the precise value of the above constant, i.e., of the exact location of the molecular HOMO level relative to the zero bias Fermi level of the metal electrodes.
30. Derosa, P. A.; Seminario, J. M. J. Phys. Chem. B 2001, 105, 471-481.
31. Ke, S.-H.; Baranger, H. U.; Yang, W. T. Phys. Rev. B 2004, 70, 085410-085421.
32. We assume that one-third of the applied bias drops at each interface and the remaining one-third drops linearly over the length the molecule.
33. Mujica, V.; Roitberg, A. E.; Ratner, M. J. Chem. Phys. 2000, 112, 6834-6839.
34. Damle, P. S.; Ghosh, A. W.; Datta, S. Phys. Rev. B 2001, 64, 201403-201406.
35. For a review see: Datta, S. Electronic Transport in Mesoscopic Systems; Cambridge University Press: Cambridge, 1995.
36. Datta, S.; Tian, W.; Hong, S.; Reifenberger, R.; Henderson, J. I.; Kubiak, C. P. Phys. Rev. Lett. 1997, 79, 2530-2533.
37. Emberly, E.; Kirczenow, G. Phys. Rev. Lett. 2001, 87, 269701;
38. Phys. Rev. B 2001, 64, 235412-235419.
39. Kushmerick, J. G.; Holt, D. B.; Yang, J. C.; Naciri, J.; Moore, M. H.; Shashidhar, R. Phys. Rev. Lett. 2002, 89, 086802.
40. Kirczenow, G.; Piva, P. G.; Wolkow, R. A. Phys. Rev. B 2005, 72, 245306.
41. Cuevas, J. C.; Heurich, J.; Pauly, F.; Wenzel, W.; Schön, G. Nanotechnology 2003, 14, R29-R38.
42. Each Pd and Rh cluster of the extended molecule is built from 70 atoms arranged in bulk FCC geometries.
43. Because the Pd/AT4/Rh molecular junction is asymmetric, it should also exhibit rectification.
44. 41
45. Lang, N. D. Phys. Rev. B 1997, 55, 9364.
46. We also predict a similar weak NDR for certain Pd/AT4/Pd junction geometries.