A model metal potential exhibiting polytetrahedral clusters

Journal of Chemical Physics

Volumn 119, Issue 2, 2003, Pages 1136-1147

  Doye, Jonathan P K ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION REACTIONS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; FREE ENERGY;

POLYTETRAHEDRAL CLUSTERS;

ALUMINUM;

EID: 0042769081     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1574797     Document Type: Article

References (93)

1. J. A. Alonso, Chem. Rev. 100, 637 (2000).
2. R. L. Johnston, Atomic and Molecular Clusters (Taylor & Francis, London, 2002).
3. D. J. Wales and H. A. Scheraga, Science 285, 1368 (1999).
4. L. Garzón, K. Michaelian, and M. R. Beltrán, Phys. Rev. Lett. 81, 1600 (1998).
5. J. P. K. Doye and D. J. Wales, New J. Chem. 22, 733 (1998).
6. N. T. Wilson and R. L. Johnston, Eur. Phys. J. D 12, 161 (2000).
7. J. M. Soler, I. L. Garzón, and J. D. Joannopoulos, Solid State Commun. 117, 621 (2001).
8. G. M. Wang, E. Blaisten-Barojas, A. E. Roitberg, and T. P. Martin, J. Chem. Phys. 115, 3640 (2001).
9. K. Michaelian, M. R. Beltrán, and I. L. Garzón, Phys. Rev. B 65, 041403(R) (2002).
10. S. K. Lai, P. J. Hsu, K. L. Wu, W. K. Liu, and M. Iwamatsu, J. Chem. Phys. 117, 10715 (2002).
11. J. P. K. Doye and S. C. Hendy, Eur. Phys. J. D 22, 99 (2003).
12. J. M. Soler, M. R. Beltrán, K. Michaelian, I. L. Garzón, P. Ordejón, D. Sánchez-Portal, and E. Artacho, Phys. Rev. B 61, 5771 (2000).
13. F. Baletto, R. Ferrando, A. Fortunelli, F. Montaienti, and C. Mottet, J. Chem. Phys. 116, 3856 (2002).
14. J. P. K. Doye, D. J. Wales, and R. S. Berry, J. Chem. Phys. 103, 4234 (1995).
15. J. P. K. Doye and D. J. Wales, J. Chem. Soc., Faraday Trans. 93, 4233 (1997).
16. J. P. K. Doye, D. J. Wales, and S. I. Simdyankin, Faraday Discuss. 118, 159 (2001).
17. J. P. K. Doye and D. J. Wales, Phys. Rev. Lett. 86, 5719 (2001).
18. J. P. K. Doye, D. J. Wales, F. H. Zetterling, and M. Dzugutov, J. Chem. Phys. 118, 2792 (2003).
19. F. Dassenoy, M.-J. Casanove, P. Lecante, M. Verelst, E. Snoeck, A. Mosset, T. Quid Ely, C. Amiens, and B. Chaudret, J. Chem. Phys. 112, 8137 (2000).
20. D. R. Nelson and F. Spaepen, Solid State Phys. 42, 1 (1989).
21. J.-F. Sadoc and R. Mosseri, Geometric Frustration (Cambridge University Press, Cambridge, MA, 1999).
22. By contrast close-packed structures are composed of octahedra and tetrahedra.
23. C. Bréchignac, P. Cahuzac, N. Kébaïli, J. Leygnier, and H. Yoshida, Phys. Rev. B 61, 7280 (2000).
24. C. Bréchignac, P. Cahuzac, F. Carlier, and J. P. Roux, Z. Phys. D: At., Mol. Clusters 28, 67 (1993).
25. F. C. Frank and J. S. Kasper, Acta Crystallogr. 11, 184 (1958).
26. F. C. Frank and J. S. Kasper, Acta Crystallogr. 12, 483 (1959).
27. D. P. Shoemaker and C. B. Shoemaker, in Introduction to Quasicrystals, edited by M. V. Jaric (Academic, London, 1988), pp. 1-57.
28. D. Shechtman, I. Blech, D. Gratias, and J. W. Cahn, Phys. Rev. Lett. 53, 1951 (1984).
29. V. Elser and C. L. Henley, Phys. Rev. Lett. 55, 2883 (1985).
30. S. Sachdev and D. R. Nelson, Phys. Rev. B 32, 4592 (1985).
31. M. Audier and P. Guyot, Philos. Mag. B 53, L43 (1986).
32. S. Darby, T. V. Mortimer-Jones, R. L. Johnston, and C. Roberts, J. Chem. Phys. 116, 1536 (2002).
33. J. A. Northby, J. Chem. Phys. 87, 6166 (1987).
34. Positive disclinations run along edges that are common to only four tetrahedra. As this type of disclination does not occur in any of the polytetrahedral structures that are considered, in this paper the term disclination is taken to mean a negative disclination.
35. In Frank-Kasper phases the disclination network is sometimes called the major network.
36. J. Hafner, From Hamiltonians to Phase Diagrams (Springer-Verlag, Berlin, 1998).
37. J. A. Moriarty and M. Widom, Phys. Rev. B 56, 7905 (1997).
38. L. C. Cune and M. Apostol, Phys. Lett. A 273, 117 (2000).
39. F. Ercolessi and J. B. Adams, Europhys. Lett. 26, 583 (1994).
40. F. Ercolessi, M. Parrinello, and E. Tosatti, Philos. Mag. A 58, 213 (1988).
41. D. Y. Sun and X. G. Gong, Phys. Rev. B 98, 9707 (1993).
42. O. Gülseren, F. Ercolessi, and E. Tosatti, Phys. Rev. Lett. 80, 3775 (1998).
43. F. D. Di Tolla, F. Ercolessi, and E. Tosatti, Phys. Rev. Lett. 74, 3201 (1995).
44. A. M. Raphuthi, X. Q. Wang, F. Ercolessi, and J. B. Adams, Phys. Rev. B 52, R5554 (1995).
45. J. D. Rittner, D. N. Seidman, and K. L. Merkle, Phys. Rev. B 53, R4241 (1996).
46. N. Sandberg, B. Magyari-Köpe, and T. R. Mattson, Phys. Rev. Lett. 89, 065901 (2002).
47. O. S. Trushin, P. Salo, M. Alatalo, and T. Ala-Nissila, Surf. Sci. 482, 365 (2001).
48. C. S. Liu, Z. G. Zhu, J. Xia, and D. Y. Sun, J. Phys.: Condens. Matter 13, 1873 (2001).
49. Y. Mishin, D. Farkas, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B 59, 3393 (1999).
50. H. S. Lim, C. K. Ong, and F. Ercolessi, Surf. Sci. 269/270, 1109 (1992).
51. S. C. Hendy and J. P. K. Doye, Phys. Rev. B 66, 235402 (2002).
52. 2 D. J. Wales and J. P. K. Doye, J. Phys. Chem. A 101, 5111 (1997).
53. Z. Li and H. A. Scheraga, Proc. Natl. Acad. Sci. U.S.A. 84, 6611 (1987).
54. C. J. Tsai and K. D. Jordan, J. Phys. Chem. 97, 11227 (1993).
55. F. H. Stillinger, Phys. Rev. E 59, 48 (1999).
56. J. P. K. Doye and D. J. Wales, J. Chem. Phys. 116, 3777 (2002).
57. J. P. K. Doye, cond-mat/0301374.
58. D. J. Wales, J. P. K. Doye, A. Dullweber, M. P. Hodges, F. Y. Naumkin, F. Calvo, J. Hernández-Rojas, and T. F. Middleton, The Cambridge Cluster Database, http://www-wales.ch.cam.ac.uk/CCD.html
59. P. Stampfli, Helv. Phys. Acta 59, 1260 (1986).
60. M. Dzugutov, Phys. Rev. Lett. 70, 2924 (1993).
61. J. Roth and F. Gähler, Eur. Phys. J. B 6, 425 (1998).
62. strain, is with respect to the energy that would result if all nearest-neighbor pairs were at the equilibrium pair separation, not the average value.
63. B. Raoult, J. Farges, M.-F. de Feraudy, and G. Torchet, Philos. Mag. B 60, 881 (1989).
64. K. E. Schriver, J. L. Persson, E. C. Honea, and R. L. Whetten, Phys. Rev. Lett. 64, 2539 (1990).
65. M. Pellarin, B. Baguenard, M. Broyer, J. Lermé, J. L. Vialle, and A. Perez, J. Chem. Phys. 98, 944 (1993).
66. M. F. Jarrold and J. E. Bower, J. Chem. Phys. 98, 2399 (1993).
67. X. Li, H. Wu, X.-B. Wang, and L.-S. Wang, Phys. Rev. Lett. 81, 1909 (1998).
68. J. Akola, Maninnen, H. Häkkinen, U. Landman, X. Li, and L.-S. Wang, Phys. Rev. B 60, R11297 (1999).
69. J. Akola, Maninnen, H. Häkkinen, U. Landman, X. Li, and L.-S. Wang, Phys. Rev. B 62, 13216 (2000).
70. L. D. Lloyd and R. L. Johnston, Chem. Phys. 236, 107 (1998).
71. L. D. Lloyd, R. L. Johnston, C. Roberts, and T. V. Mortimer-Jones, ChemPhysChem 3, 408 (2002).
72. M. S. Bailey, N. T. Wilson, C. Roberts, and R. L. Johnston, Eur. Phys. J. D. (to be published).
73. R. O. Jones, Phys. Rev. Lett. 67, 224 (1991).
74. J.-Y. Yi, D. J. Oh, and J. Bernholc, Phys. Rev. Lett. 67, 1594 (1991).
75. H.-P. Cheng, R. S. Berry, and R. L. Whetten, Phys. Rev. B 43, 10647 (1991).
76. S. Debiaggi and A. Caro, Phys. Rev. B 46, 7322 (1992).
77. S. H. Yang, D. A. Drabold, J. B. Adams, and A. Sachdev, Phys. Rev. B 47, 1567 (1993).
78. J. Akola, H. Häkkinen, and M. Manninen, Phys. Rev. B 58, 3601 (1998).
79. R. Ahlrichs and S. D. Elliott, Phys. Chem. Chem. Phys. 1, 13 (1999).
80. J. Lermé, M. Pellarin, J. L. Vialle, B. Baguenard, and M. Broyer, Phys. Rev. Lett. 68, 2818 (1992).
81. T. P. Martin, U. Näher, and H. Schaber, Chem. Phys. Lett. 199, 470 (1992).
82. B. Baguenard, M. Pellarin, J. Lermé, J. L. Vialle, and M. Broyer, J. Chem. Phys. 100, 754 (1994).
83. U. Näher, U. Zimmermann, and T. P. Martin, J. Chem. Phys. 99, 2256 (1993).
84. S. Valkealahti and M. Manninen, Phys. Rev. B 50, 17564 (1994).
85. S. Valkealahti, U. Näher, and M. Manninen, Phys. Rev. B 51, 11039 (1995).
86. S. Valkealahti and M. Manninen, Phys. Rev. B 57, 15533 (1998).
87. F. Baletto, C. Mottet, and R. Ferrando, Phys. Rev. Lett. 84, 5544 (2000).
88. F. Baletto, C. Mottet, and R. Ferrando, Phys. Rev. B 63, 155408 (2001).
89. F. Baletto, J. P. K. Doye, and R. Ferrando, Phys. Rev. Lett. 88, 075503 (2002).
90. B. W. van de Waal, J. Chem. Phys. 90, 3407 (1989).
91. G. W. Turner, R. L. Johnston, and N. T. Wilson, J. Chem. Phys. 112, 4773 (2000).
92. J. P. K. Doye and F. Calvo, Phys. Rev. Lett. 86, 3570 (2001).
93. J. P. K. Doye and D. J. Wales, J. Chem. Phys. 116, 8307 (2002).