Structures of metallic clusters: Mono- and polyvalent metals

Journal of Chemical Physics

Volumn 117, Issue 23, 2002, Pages 10715-10725

  Lai, S K ^a,b,c   Hsu, P J ^a   Wu, K L ^a   Liu, W K ^b   Iwamatsu, M ^c,d  

^a NATIONAL CENTRAL UNIVERSITY   (Taiwan)

^b UNIVERSITY OF WATERLOO   (Canada)

^c TOKYO METROPOLITAN UNIVERSITY   (Japan)

^d TOKYO CITY UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; APPROXIMATION THEORY; ATOMS; CALCULATIONS; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; GENETIC ALGORITHMS; LEAD; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

ALKALI METALLIC CLUSTERS; BASIN HOPPING METHOD; GLOBAL ENERGY MINIMA; GUPTA TYPE MANY BODY POTENTIAL; METALLIC CLUSTERS;

GROUND STATE;

EID: 0037115852     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1521128     Document Type: Article

References (46)

1. C. L. Cleveland and U. Landman, J. Chem. Phys. 94, 7376 (1991).
2. O. D. Häberlen, S. C. Chung, M. Stener, and N. Rösch, J. Phys. Chem. B 106, 5189 (1997).
3. C. L. Cleveland, U. Landman, T. G. Schaaff, M. N. Shafigulin, P. W. Stephens, and R. L. Whetten, Phys. Rev. Lett. 79, 1873 (1997).
4. F. Calvo and F. Spiegelmann, J. Chem. Phys. 112, 2888 (2000).
5. N Ju and A. Bulgac, Phys. Rev. B 48, 2721 (1993).
6. R. S. Berry and B. M. Smirmov, J. Chem. Phys. 113, 728 (2000).
7. J. P. K. Doye and D. J. Wales, J. Phys. B 29, 4859 (1996).
8. J. P. K. Doye and F. Calvo, J. Chem. Phys. 116, 8307 (2002).
9. T. P. Martin, T. Bergmann, H. Göhlich, and T. Lange, Chem. Phys. Lett. 172, 209 (1990).
10. H. Hubert, B. Devouard, L. A. J. Garvie, M. O'Keeffe, P. R. Buseck, W. T. Petuskev, and P. F. McMillan, Nature (London) 391, 376 (1998).
11. Y. Zeiri, Phys. Rev. E 51, R2769 (1995).
12. J. A. Niesse and H. R. Mayne, J. Chem. Phys. 105, 4700 (1996).
13. J. P. K. Doye and D. J. Wales, New J. Chem. 22, 733 (1998).
14. R. P. Gupta, Phys. Rev. B 23, 6265 (1981).
15. F. Ducastelle, J. Phys. (Paris) 31, 1055 (1970).
16. J. Friedel, in Electrons, Physics of Metals, Vol. I. edited by J. M. Ziman (Pergamon, London, 1969).
17. F. Cleri and V. Rosato, Phys. Rev. B 48, 22 (1993).
18. Y. Li, E. Blaisten-Barojas, and D. A. Papaconstantopoulos, Phys. Rev. B 57, 15519 (1998).
19. For sodium, the Gupta potential parameters were taken from the work by the same authors in Chem. Phys. Lett. 268, 331 (1997).
20. The interested readers may consult the early work of Cleri and Rosato (Ref. 17) and a more recent one of Chien et al. (Ref. 38) for details.
21. W. Y. Ching and J. Callaway, Phys. Rev. B 11, 1324 (1975).
22. G. Allan and M. Lanoo, Phys. Status Solidi B 74, 409 (1976).
23. W. Zhong, Y. S. Li, and D. Tomanek, Phys. Rev. B 44, 13053 (1991).
24. M. M. Signals and D. A. Papaconstantopoulos, Phys. Rev. B 49, 1574 (1994).
25. N. A. Besley, R. L. Johnson, A. J. Stace, and J. Uppenbrink, J. Mol. Struct.: THEOCHEM 34, 75 (1995).
26. D. Liu and J. Nocedal, Math. Program. B 45, 503 (1989).
27. J. A. Niesse and H. R. Mayne, Chem. Phys. Lett. 261, 576 (1996).
28. Y. Zeiri, Comput. Phys. Commun. 103, 28 (1997).
29. D. J. Wales and J. P. K. Doye, J. Phys. Chem. A 101, 5111 (1997).
30. Z. Li and H. A. Scheraga, Proc. Natl. Acad. Sci. U.S.A. 84, 6611 (1987).
31. W. D. Knight, K. Clemenger, W. A. de Heer, W. A. Saunders, M. Y. Chou, and M. L. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
32. A. Aguado, J. M. Lopez, J. A. Alonso, and M. J. Stott, J. Chem. Phys. 111, 6026 (1999).
33. U. Röthlisberger and W. Andreoni, J. Chem. Phys. 94, 8129 (1991).
34. V. Bonacic-Koutecky, P. Fantucci, and J. Koutecky, Phys. Rev. B 37, 4369 (1988).
35. F. Spiegelmann and D. Pavolini, J. Chem. Phys. 89, 4954 (1988).
36. F. C. Frank and J. S. Kasper, Acta Crystallogr. 11, 184 (1958)
37. 12, 483 (1959).
38. J. P. K. Doye and D. J. Wales, J. Chem. Soc., Faraday Trans. 93, 4233 (1997).
39. H. S. Lim, C. K. Ong, and F. Ercolessi, Surf. Sci. 269/270, 1109 (1992).
40. C. H. Chien, E. Blaisten-Baroja, and M. R. Pederson, J. Chem. Phys. 112, 2301 (2001).
41. S. Darby, T. V. Mortimer-Jones, R. L. Johnston, and C. Roberts, J. Chem. Phys. 116, 1536 (2002).
42. J. E. Heam and R. L. Johnston, J. Chem. Phys. 107, 4674 (1997).
43. J. A. Northby, J. Chem. Phys. 87, 6166 (1987).
44. Y. H. Luo, J. Zhao, S. Qiu and G. Wang, Phys. Rev. B 59, 14903 (1999).
45. F. Yonezawa, S. Nose, and S. Sakamoto, Z. Phys. Chem. (Leipzig) 156, 5451 (1988).
46. We exclude the network glassy materials such as the Si or Ge where directional terms in the many-body potential must be explicitly included. This class of clusters therefore differs from the ones mentioned here.