First-principles simulations of inelastic electron tunneling spectroscopy of molecular electronic devices

Nano Letters

Volumn 5, Issue 8, 2005, Pages 1551-1555

  Jiang, Jun ^a,b   Kula, Mathias ^a   Lu, Wei ^b   Luo, Yi ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b SHANGHAI INSTITUTE OF TECHNICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON TUNNELING; PROBABILITY DENSITY FUNCTION; SPECTROSCOPY; THERMAL EFFECTS;

INELASTIC ELECTRON TUNNELING SPECTROSCOPY (IETS); INTRAMOLECULAR CONFORMATIONS; MOLECULAR ELECTRONIC DEVICES; STRUCTURAL INFORMATION;

ELECTRONIC EQUIPMENT;

NANOMATERIAL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRONICS; EQUIPMENT; EVALUATION; FEASIBILITY STUDY; MATERIALS TESTING; METHODOLOGY; SCANNING TUNNELING MICROSCOPY; SPECTROSCOPY;

COMPUTER SIMULATION; ELECTRONICS; EQUIPMENT FAILURE ANALYSIS; FEASIBILITY STUDIES; MATERIALS TESTING; MICROSCOPY, SCANNING TUNNELING; MODELS, CHEMICAL; NANOSTRUCTURES; SPECTRUM ANALYSIS;

EID: 24344435119     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl050789h     Document Type: Article

References (20)

1. Kushmerick, J. G.; Lazorcik, J.; Patterson, C. H.; Shashidhar, R.; Seferos, D. S.; Bazan, G. C. Nano Lett. 2004, 4, 639.
2. Wang, W.; Lee, T.; Kretzschmar, L; Reed, M. A. Nano Lett. 2004, 4, 643.
3. Yu, L. H.; Keane, Z. K.; Ciszek, J. W.; Cheng, L.; Stewart, M. P.; Tour, J. M.; Natelson, D. Phys. Rev. Lett. 2004, 93, 266802.
4. Flood, A. H.; Stoddart, J. F.; Steuerman, D. W.; Heath, J. R. Science 2004, 306, 2055.
5. Wolf, E. L. Principles of Electron Tunneling Spectroscopy; Oxford University Press: New York, 1985; Vol. 71.
6. Troisi, A.; Ratner, M. A.; Nitzan, A. J. Chem. Phys. 2003, 118, 6072.
7. Asai, Y. Phys. Rev. Lett. 2004, 93, 246102.
8. Frederiksen, T.; Brandbyge, M.; Lorente, N.; Jauho, A.-P. Phys. Rev. Lett. 2004, 93, 256601.
9. Galperin, M.; Ratner, M. A.; Nitzan, A. Nano Lett. 2004, 4, 1605.
10. Chen, Y.-C.; Zwolak, M.; Di Ventra, M. Nano Lett. 2004, 4, 1709.
11. Troisi, A.; Ratner, M. A.; privite communication.
12. Chen, Y.-C.; Zwolak, M.; Di Ventra, M. Nano Lett. 2005, 5, 621.
13. (a) Jiang, J.; Lu, W.; Luo, Y. Chem. Phys. Lett. 2004, 400, 336.
14. (b) Wang, C.-K.; Fu, Y.; Luo, Y. Phys. Chem. Chem. Phys. 2001, 3, 5017.
15. (c) Wang, C.-K.; Luo, Y. J. Chem. Phys. 2003, 119, 4923.
16. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
17. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; AlLaham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc., Wallingford CT, 2004.
18. Jiang, J.; Luo, Y. QCME-VI.0: Quantum Chemistry for Molecular Electronics; Royal Institute of Technology: Stockholm, Sweden; thanks to Chuan-Kai Wang and Ying Fu.
19. Cui, X. D.; Primak, A.; Zarate, X.; Tomfohr, J.; Sankey, O. F.; Moore, A. L.; Moore, T. A.; Gust, D.; Nagahara, L. A.; Lindsay, S. M. J. Phys. Chem. B. 2002, 106, 8609.
20. Cui, X. D.; Primak, A.; Zarate, X.; Tomfohr, J.; Sankey, O. F.; Moore, A. L.; Moore, T. A.; Gust, D.; Harris, G.; Lindsay, S. M. Science 2001, 294, 571.