Melting Behaviors of Icosahedral Metal Clusters Studied by Monte Carlo Simulations

Journal of Computational Chemistry

Volumn 21, Issue 5, 2000, Pages 380-387

  Lee, Young Joo ^a   Maeng, Jae Yeol ^a   Lee, Eok Kyun ^a   Kim, Bongsoo ^a   Kim, Sehun ^a   Han, Kyu Kwang ^b  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^b PaiChai University   (South Korea)

Author keywords

Icosahedron; Melting; Monte Carlo simulation; Second moment approximation; Transition metal clusters

Indexed keywords

EID: 0001322410     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(20000415)21:5<380::AID-JCC4>3.0.CO;2-C     Document Type: Article

References (34)

1. Sugano, S.; Nishina, Y.; Ohnishi, S. Microclusters: Proceedings of the First NEC Symposium; Springer Verlag: New York, 1987.
2. Haberland, H. Clusters of Atoms and Molecules I: Theory, Experiment, and Clusters of Atoms; Springer Verlag: New York, 1995.
3. Martin, T. P. Large Clusters of Atoms and Molecules; Klu wer Academic: Boston, 1995.
4. Jena, P.; Khanna, S. N.; Rao, B. K. Proceedings of the Science and Technology of Atomically Engineered Materials; World Scientific: NJ, 1995.
5. Buffat, Ph.; Borel, J.-P. Phys Rev A 1976, 13, 2287.
6. Lai, S. L.; Guo, J. Y.; Petrova, V; Ramanath, G.; Allen, L. H. Phys Rev Lett 1996, 77, 99.
7. Schmidt, M.; Kusche, R.; Kronmüller, W.; von Issendorff, B.; Haberland, H. Phys Rev Lett 1997, 79, 99.
8. Peters, K. F.; Cohen, J. B.; Chung, Y.-W. Phys Rev B 1998, 57, 13430.
9. Rytkönen, A.; Hakkinen, H.; Manninen, M. Phys Rev Lett 1998, 80, 3940.
10. Cheng, H.-P.; Berry, R. S. Phys Rev A 1992, 45, 7969.
11. Güvenç, Z. B.; Jellinek, J. Z Phys D 1993, 26, 304.
12. Ercolessi, F.; Andreoni, W.; Tosatti, E. Phys Rev Lett 1991, 66, 911.
13. Vlachos, D. G.; Schmidt, L. D.; Aris, R. J Chem Phys 1992, 96, 6891.
14. Calvo, F.; Labatie, P. Chem Phys Lett 1996, 258, 233.
15. Calvo, F.; Spiegelmann, F. Phys Rev Lett 1999, 82, 2270.
16. Maillet, J.-B.; Boutin, A.; Fuchs, A. H. Phys Rev Lett 1996, 76, 4336.
17. Löpez, M. J.; Marcos, P. A.; Alonso, J. A. J Chem Phys 1996, 104, 1056.
18. Doye, J. P. K.; Wales, D. J. J Chem Phys 1995, 102, 9673.
19. Beck, T. L.; Jellinek, J.; Berry, R. S. J Chem Phys 1987, 87, 545.
20. Garzón, I. L.; Jellinek, J. Z Phys D 1993, 26, 316.
21. Jellinek, J.; Garzón, I. L. Z Phys D 1993, 20, 239.
22. Jellinek, J.; Güvenç, Z. B. In The Synergy Between Dynamics and Reactivity at Clusters and Surfaces; Farrugia, L. J., Ed.; Academic: The Netherlands, 1995, p. 217.
23. Garzón, I. L.; Jellinek, J. In Physics and Chemistry of Finite systems: From Clusters to Crystals; Jena, P.; Khanna, S. N.; Rao, B. K., Eds.; Academic: The Netherlands, 1992, p. 405, vol. 1.
24. Garcia-Rodeja, J.; Rey, C.; Gallego, L. J.; Alonso, J. A. Phys Rev B 1994, 49, 8495.
25. Rey, C.; Gallego, L. J.; Garcia-Rodeja, J.; Alonso, J. A.; Iñiguez, M. P. Phys Rev B 1993, 48, 8253.
26. Chen, X.; Zhao, J.; Sun, Q.; Liu, F.; Wang, G.; Shen, X. C. Phys Stat Sol 1996, 193, 355.
27. López, M. J.; Jellinek, J. J Chem Phys 1999, 110, 8899; and references therein.
28. Doye, J. P. K.; Wales, D. J. New J Chem 1998, 22, 733.
29. Granja, F. A.; Bouarab, S.; López, M. J.; Vega, A.; Carrizales, J. M. M. Phys Rev B 1998, 57, 12469.
30. Carrizales, J. M. M.; Iñiguez, M. P.; Alonso, J. A.; López, M. J. J Phys Rev B 1996, 54, 5961.
31. Stave, M. S.; DePristo, A. E. J Chem Phys 1992, 97, 3386.
32. Parks, E. K.; Zhu, L.; Ho, J.; Riley, S. J. J Chem Phys 1994, 100, 7206.
33. Parks, E. K.; Zhu, L.; Ho, J.; Riley, S. J. J Chem Phys 1995, 102, 7377.
34. Reuse, F. A.; Khanna, S. N. Chem Phys Lett 1995, 234, 77.