Molecular quantum-dot cellular automata

Journal of the American Chemical Society

Volumn 125, Issue 4, 2003, Pages 1056-1063

  Lent, Craig S ^a,b   Isaksen, Beth ^a,b   Lieberman, Marya ^a,b  

^a University of Notre Dame   (United States)

^b UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEVICE-DEVICE COUPLINGS;

AUTOMATA THEORY; QUANTUM ELECTRONICS; SEMICONDUCTOR DIODES; TRANSISTORS;

MOLECULAR DYNAMICS;

AB INITIO CALCULATION; ARTICLE; DIODE; DIPOLE; ELECTRICITY; ELECTRONICS; OXIDATION REDUCTION REACTION; QUANTUM MECHANICS; SEMICONDUCTOR;

EID: 0037471662     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja026856g     Document Type: Article

References (21)

1. Lent, C. S.; Tougaw, P. D.; Porod, W.: Bernstein, G. H. Nanotechnology 1993, 4, 49.
2. Lent, C. S.; Tougaw, P. D. Proc. IEEE 1997, 85, 541.
3. Niemier, M. T.; Kogge, P. M. Int. J. Circuit Theory Appl. 2001, 29, 49.
4. (a) Orlov, A. O.; Amlani, I.; Bernstein, G. H.; Lent, C. S.; Snider, G. L. Science 1997, 277, 928.
5. (b) Amlani, I.; Orlov, A.; Toth, G.; Bernstein, G. H.; Lent, C. S.; Snider, G. L. Science 1999, 284, 289.
6. Timler, J.; Lent, C. S. J. Appl. Phys. 2002, 91, 823.
7. Lent, C. S. Science 2000, 288, 1597.
8. Lieberman, M. L.; Chellamma, S.; Varughese, B.; Wang, Y.; Lent, C. S.; Bernstein, G. H.; Snider, G.; Peiris, F. C. Ann. N.Y. Acad. Sci. 2002, 960, 225.
9. Aviram, A. J. Am. Chem. Soc. 1988, 110, 5687.
10. Hush, N. S.; Wong, A. T.; Backskay, G. B.; Reimers, J. R. J. Am. Chem. Soc. 1990, 112, 4192.
11. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Milliam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomberts, R.; Martin, R. L.; Fox, D. J.; Keith, T. A.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11; Gaussian Inc.: Pittsburgh, PA, 2001.
12. Local density approaches typically underestimate the degree of charge localization. Hartree-Fock may overestimate localization somewhat. A comparison of different methods would need to be benchmarked against experiments and is beyond the scope of this work.
13. We take the direction of the dipole moment to be from negative to positive charge. following: Stone, A. J. The Theory of Intermolecular Forces; Oxford University Press: Oxford, 1996.
14. Recall that we are concerned here with the ground-state configuration, not with the temporal response and switching transient.
15. Although the Hartree - Fock self-consistent iteration is not guaranteed to produce the right excited state, in this case, the energy difference is dominated by the electrostatic interaction with the driver (see below), so it provides a reasonable approximation to the excitation energy.
16. For a recent review of Robin and Day classes in mixed-valence chemistry see: Demadis, K. D.; Hartshom, C. M.; Meyer, T. J. Chem. Rev. 2001, 101, 2655.
17. (a) Toth, G.; Lent, C. S. J. Appl. Phys. 1999, 85, 2977.
18. (b) Orlov, A.O.; Kummamuru, R. K.; Ramasubramaniam, R.; Toth, G.; Lent, C. S.; Bernstein, G. H.; Snider, G. L. Appl. Phys. Lett. 2001, 78, 1625.
19. Hennessy, K.; Lent, C. S. J. Vac. Sci. Technol., B 2001, 19, 1752.
20. We again ignore the complications of attachment to a surface or to neighboring molecules, which would be necessary to realize a full molecular QCA system.
21. Note that the definition of cell polarization in ref 1 is precisely the normalized quadrupole moment.