Local Heating in Nanoscale Conductors

Nano Letters

Volumn 3, Issue 12, 2003, Pages 1691-1694

  Chen, Yu Chang ^a   Zwolak, Michael ^a   Di Ventra, Massimiliano ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD;

ARTICLE; CALCULATION; CONDUCTOR; ELECTRIC CURRENT; ELECTRODE; HEAT; HEATING; MOLECULE; NANOTECHNOLOGY; TEMPERATURE; VIBRATION;

EID: 0346101512     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl0348544     Document Type: Article

References (27)

1. Todorov, T. N. Philos. Mag. B 1998, 77, 965.
2. Montgomery, M. J.; Todorov, T. N.; Sutton, A. P. J. Phys.: Condens. Mater. 2002, 14, 1. Montgomery, M. J.; Hoekstra, J.; Todorov, T. N.; Sutton, A. P. J. Phys.: Condens. Mater. 2003, 15, 731.
3. Montgomery, M. J.; Todorov, T. N.; Sutton, A. P. J. Phys.: Condens. Mater. 2002, 14, 1. Montgomery, M. J.; Hoekstra, J.; Todorov, T. N.; Sutton, A. P. J. Phys.: Condens. Mater. 2003, 15, 731.
4. Yanson, I. K. Sov. Phys. JETP 1974, 39, 506.
5. Muller, C. J.; van Ruitenbeek, J. M.; deJongh, J. L. Phys. Rev. Lett. 1992, 69, 140.
6. van den Brom, H. E.; Yanson, A. I.; van Ruitenbeek, J. M. Physica B 1998, 252, 69.
7. van Gelder, A. P.; Jansen, A. G. M.; Wyder, P.; Phys. Rev. B 1980, 22, 1515.
8. Persson, B. N. J.; Avouris, Ph. Surf. Sci. 1997, 390, 45.
9. Lorente, N.; Persson, M.; Lauhon, L. J.; Ho, W. Phys. Rev. Lett. 2001, 86, 2593.
10. Agraït, N.; Untiedt, C.; Rubio-Bollinger, G.; Vieira, S. Phys. Rev. Lett. 2002, 88, 216803.
11. Ness, H.; Fisher, A. J. Phys. Rev. Lett. 1999, 83, 452.
12. Troisi, A.; Ratner, M. A.; Nitzan, A. J. Chem. Phys. 2003, 118, 6072.
13. D'Amato, J. L.; Pastawski, H. M. Phys. Rev. B 1990, 41, 7411.
14. Bonca, J.; Trugman, S. A. Phys. Rev. Lett. 1995, 75, 2566.
15. Emberly, E. G.; Kirczenow, G. Phys. Rev. B 2000, 61, 5740.
16. Lang, N. D. Phys. Rev. B 1995, 52, 5335. Di Ventra, M.; Lang, N. D. Phys. Rev. B 2002, 65, 045402. Yang, Z.; Tackett, A.; Di Ventra, M. Phys. Rev B. 2002, 66, 041405. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2000, 84, 979.
17. Lang, N. D. Phys. Rev. B 1995, 52, 5335. Di Ventra, M.; Lang, N. D. Phys. Rev. B 2002, 65, 045402. Yang, Z.; Tackett, A.; Di Ventra, M. Phys. Rev B. 2002, 66, 041405. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2000, 84, 979.
18. Lang, N. D. Phys. Rev. B 1995, 52, 5335. Di Ventra, M.; Lang, N. D. Phys. Rev. B 2002, 65, 045402. Yang, Z.; Tackett, A.; Di Ventra, M. Phys. Rev B. 2002, 66, 041405. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2000, 84, 979.
19. Lang, N. D. Phys. Rev. B 1995, 52, 5335. Di Ventra, M.; Lang, N. D. Phys. Rev. B 2002, 65, 045402. Yang, Z.; Tackett, A.; Di Ventra, M. Phys. Rev B. 2002, 66, 041405. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2000, 84, 979.
20. We have employed Hartree-Fock total energy calculations [see, e.g., Boatz, J. A.; Gordon, M. S. J. Phys. Chem. 1989, 93, 1819] to evaluate the vibrational modes of the single-molecule junction and the gold point contact. For these calculations, the assumed surface geometry is (111), represented by a triangular pad of gold atoms (see insets of Figure 2) with infinite mass. Both S atoms and the single gold atom face the center of the triangular pad. The chosen S-surface distance is 2.4 Å, the single gold-surface distance is 2.3 Å. Another configuration for the molecule, e.g., the S atom facing a single gold atom of the surface, would give lower current15 and thus lower local heating.
21. Chen, Y.-C.; Di Ventra, M. Phys. Rev. B 2003, 67, 153304.
22. The inelastic electron mean-free path estimated from the Fermi golden rule is at least 100 Å, in agreement with estimates reported in ref 2.
23. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2002, 88, 046801.
24. Patton, K. R.; Geller, M. R. Phys. Rev. B. 2001, 64, 155320.
25. The present model provides an intuitive picture of the heat transfer from the junction to the electrodes with some details of the link between the two bulk reservoirs. Note, however, that similar conclusions would be reached if we used, e.g., a semiclassical model of heat conduction as done in ref 1.
26. 5 cm/s, respectively.
27. See, e.g., Zürcher, U.; Talkner, P. Phys. Rev. A 1990, 42, 3278.