Abstract
A modified superexchange model for the formation of nonresonant tunnel current through a molecular wire consisting of a regular chain and terminal units is developed. Under conditions of weak mixing of the localized terminal molecular orbitals with the delocalized orbitals of regular chain, the explicit expressions for the tunneling current are obtained and the conditions for the applicability of the superexchange model are found. It is shown that in limiting cases, the attenuation factor for the tunneling current coincides with that used for analysis of experimental data within the framework of the rectangular barrier model or the “deep” tunneling model. Using the modified superexchange model, the experimental data on the dependence of the currentvoltage characteristics of the N-alkanedithiol molecular wire on the number of C–C bonds are interpreted, and the conditions are formulated for which the simplest model of a rectangular barrier with a tunneling effective electron mass can be used for the analysis of experimental data.
Similar content being viewed by others
References
F. L. Carter, Molecular Electronic Devices (Marcel Dekker, New York, 1982).
A. Nitzan, Ann. Rev. Phys. Chem. 52, 681 (2001).
J. C. Cuevas and E. Scheer, Molecular Electronics: An Introduction to Theory and Experiment (World Scientific, Singapore, 2010).
B. K. Pathem, S. A. Claridge, Y. B. Zheng, and P. S. Weiss, Ann. Rev. Phys. Chem. 64, 605 (2013).
M. Ratner, Nat. Technol. 8, 377 (2013).
N. A. Zimbovskaya and M. R. Perderson, Phys. Rep. 509, 1 (2014).
J. L. Zhang, J. Q. Zhong, J. D. Lin, W. P. Hu, K. Wu, G. Q. Xu, A. T. Wee, and W. Chen, Chem. Soc. Rev. 44, 2998 (2015).
Special Issue, Ed. by P. Hänggi, M. Ratner, and S. Yaliraki, Chem. Phys. 281, 111 (2002).
S. V. Aradhya and L. Venkataraman, Nat. Nanotechnol. 8, 399 (2013).
K. V. Raman, Appl. Phys. Rev. 1 (3), 1 (2014).
E. G. Petrov, V. May, and P. Hänggi, Phys. Rev. B 73, 045408 (2006).
B. D. Fainberg, M. Jouravlev, and A. Nitzan, Phys. Rev. B 76, 245329 (2007).
E. G. Petrov, Ye. V. Shevchenko, V. May, and P. Hänggi, J. Chem. Phys. 134, 204701 (2011).
M. Galperin and M. A. Nitzan, Phys. Chem. Chem. Phys. 14, 9421 (2012).
E. G. Petrov, V. O. Leonov, V. May, and P. Hänggi, Chem. Phys. 407, 53 (2012).
E. G. Petrov, V. O. Leonov, and V. Snitsarev, J. Chem. Phys. 138, 184709 (2013).
V. A. Leonov and E. G. Petrov, JETP Lett. 97, 549 (2013).
Y. Chang, Y. Zelinskyy, and V. May, Phys. Rev. B 88, 155426 (2013).
D. Xiang, X. Wang, C. Jia, T. Lee, and X. Guo, Chem. Rev. 116, 4318 (2016).
E. G. Petrov, V. O. Leonov, and Ye. V. Shevchenko, JETP 125 (5), 856 (2017).
M. Baghbanzadeh, C. M. Bowers, D. Rappoport, T. Zaba, M. Gonidec, M. H. Al-Sayah, P. Cyganik, A. Aspuru-Guzik, and G. M. Whitesides, Ang. Chem. Int. Ed. 54, 14743 (2015).
M. Baghbanzadeh, C. M. Bowers, D. Rappoport, T. Zaba, L. Yuan, K. Kang, K.-C. Liao, M. Gonidec, P. Rothemund, P. Cyganik, A. Aspuru-Guzik, and G. M. Whitesides, J. Am. Chem. Soc. 139, 7624 (2017).
X. D. Cui, A. Primak, X. Zarate, J. Tomfohr, O. F. Sankey, A. L. Moore, T. A. Moore, D. Gust, L. A. Nagahara, and S. M. Lindsay, J. Phys. Chem. B 106, 8609 (2002).
K. H. Muller, Phys. Rev. B 73, 045403 (2006).
F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 128, 15874 (2006).
F. C. Simeone, H. J. Yoon, M. M. Thuo, J. R. Barber, B. Smith, and G. M. Whitesides, J. Am. Chem. Soc. 135, 18131 (2013).
J. M. Seminario, C. E. de la Cruz, and P. A. Derosa, J. Am. Chem. Soc. 123, 5616 (2001).
V. B. Engelkes, J. M. Beebe, and C. D. Frisbie, J. Am. Chem. Soc. 126, 14287 (2004).
E. Wierzbinski, X. Yin, K. Werling, and D. H. Waldeck, J. Phys. Chem. B 117, 4431 (2013).
J. G. Simmons, J. Appl. Phys. 34, 1793 (1963).
J. Selzer, A. Salomon, and D. Cahen, J. Phys. Chem. B 106, 10432 (2002).
H. M. McConnel, J. Phys. Chem. 35, 508 (1961).
J. Jortner, M. Bixon, A. A. Voityuk, and N. Rösch, J. Phys. Chem. A 108, 7599 (2002).
C. R. Treadway, M. G. Hill, and J. K. Barton, Chem. Phys. 281, 409 (2002).
M. A. Rampi and G. M. Whitesides, Chem. Phys. 281, 373 (2002).
F. C. Simeone and M. A. Rampi, Chimia 64, 362 (2010).
E. G. Petrov, Ya. R. Zelinskyy, V. May, and P. Hänggi, J. Chem. Phys. 127, 084709 (2007).
M. Büttiker and R. Landauer, Phys. Rev. A 23, 1397 (1981).
S. Datta, Electronic Transport in Mesoscopic Systems (Cambridge Univ. Press, New York, 1995).
W. Tian, S. Datta, S. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, J. Chem. Phys. 109, 2874 (1998).
E. G. Petrov, I. S. Tolokh, A. A. Demidenko, and V. V. Gorbach, Chem. Phys. 193, 237 (1995).
E. G. Petrov, Int. J. Quant. Chem. 16, 133 (1979).
S. Elke and C. J. Carlos, Molecular Electronics: An Introduction in Theory and Experiment, 2nd ed., Vol. 15 of Nanoscience and Nanotechnology (World Scientific, Singapore, 2017).
Author information
Authors and Affiliations
Corresponding author
Additional information
Published in Russian in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2018, Vol. 108, No. 5, pp. 322–331.
The article was translated by the author.
Rights and permissions
About this article
Cite this article
Petrov, E.G. Superexchange Nonresonant Tunneling Current across a Molecular Wire. Jetp Lett. 108, 302–311 (2018). https://doi.org/10.1134/S0021364018170101
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0021364018170101