Small sodium clusters that melt gradually: Melting mechanisms in Na30

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 11, 2006, Pages

  Aguado, Andrés ^a   López, José M ^a  

^a UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748329368     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.115403     Document Type: Article

References (67)

1. A. A. Shvartsburg and M. F. Jarrold, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.2530 85, 2530 (2000);
2. G. A. Breaux, R. C. Benirschke, T. Sugai, B. S. Kinnear, and M. F. Jarrold, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.215508 91, 215508 (2003).
3. M. Schmidt, R. Kusche, W. Kronmüller, B. von Issendorff, and H. Haberland, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.99 79, 99 (1997).
4. M. Schmidt, R. Kusche, B. von Issendorff, and H. Haberland, Nature (London) NATUAS 0028-0836 10.1038/30415 393, 238 (1998).
5. R. Kusche, Th. Hippler, M. Schmidt, B. von Issendorff, and H. Haberland, Eur. Phys. J. D EPJDF6 1434-6060 10.1007/s100530050388 9, 1 (1999).
6. M. Schmidt, C. Ellert, W. Kronmüller, and H. Haberland, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.10970 59, 10970 (1999).
7. M. Schmidt and H. Haberland, C. R. Phys. CRPOBN 1631-0705 10.1016/S1631-0705(02)01326-9 3, 327 (2002).
8. M. Schmidt, J. Donges, Th. Hippler, and H. Haberland, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.103401 90, 103401 (2003).
9. H. Haberland, Th. Hippler, J. Donges, O. Kostko, M. Schmidt, and B. von Issendorff, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.035701 94, 035701 (2005).
10. G. A. Breaux, C. M. Neal, B. Cao, and M. F. Jarrold, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.173401 94, 173401 (2005).
11. U. Röthlisberger and W. Andreoni, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460096 94, 8129 (1991).
12. A. Bulgac and D. Kusnezov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.1335 68, 1335 (1992);
13. A. Bulgac and D. Kusnezov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.1988 45, 1988 (1992).
14. N. Ju and A. Bulgac, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48. 2721 48, 2721 (1993).
15. P. Blaise, S. A. Blundell, and C. Guet, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.15856 55, 15856 (1997).
16. A. Rytkönen, H. Häkkinen, and M. Manninen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.3940 80, 3940 (1998);
17. A. Rytkönen, H. Häkkinen, and M. Manninen, Eur. Phys. J. D EPJDF6 1434-6060 10.1007/s100530050477 9, 451 (1999).
18. A. Aguado, J. M. López, J. A. Alonso, and M. J. Stott, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479899 111, 6026 (1999).
19. F. Calvo and F. Spiegelmann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.2270 82, 2270 (1999);
20. F. Calvo and F. Spiegelmann, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480862 112, 2888 (2000).
21. A. Vichare, D. G. Kanhere, and S. A. Blundell, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.045408 64, 045408 (2001).
22. A. Aguado, J. M. López, J. A. Alonso, and M. J. Stott, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp0018504 105, 2386 (2001).
23. A. Aguado, L. M. Molina, J. M. López, and J. A. Alonso, Eur. Phys. J. D EPJDF6 1434-6060 10.1007/s100530170169 15, 221 (2001).
24. J. A. Reyes-Nava, I. L. Garzón, and K. Michaelian, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.165401 67, 165401 (2003).
25. F. Calvo and F. Spiegelmann, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1714792 120, 9684 (2004).
26. K. Manninen, A. Rytkönen, and M. Manninen, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2004-00002-x 29, 39 (2004).
27. K. Manninen, H. Häkkinen, and M. Manninen, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.70.023203 70, 023203 (2004).
28. M. Lee, S. Chacko, and D. G. Kanhere, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2076607 123, 164310 (2005).
29. K. Manninen, A. Rytkönen, and M. Manninen, Comput. Mater. Sci. CMMSEM 0927-0256 35, 158 (2006).
30. M. Itoh, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.035425 73, 035425 (2006).
31. A. Aguado and J. M. López, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.233401 94, 233401 (2005).
32. A. Aguado, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp051842t 109, 13043 (2005).
33. E. G. Noya, J. P. K. Doye, D. J. Wales, and A. Aguado, cond-mat/0506329 (unpublished).
34. S. Chacko, D. G. Kanhere, and S. A. Blundell, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.155407 71, 155407 (2005).
35. E. G. Noya, J. P. K. Doye, and F. Calvo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.125407 73, 125407 (2006).
36. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, 864B (1964).
37. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, 1133A (1965).
38. A. Aguado, L. E. González, and J. M. López, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp049274p 108, 11722 (2004).
39. A. Aguado, D. J. González, L. E. González, and J. M. López, Progress in Chemical Physics Research (Nova Science Publishers, New York, in press).
40. A. Aguado and J. M. López, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.075415 71, 075415 (2005).
41. A. Aguado and J. M. López, J. Chem. Theory Comput. JCTCCE 1549-9618 10.1021/ct049892+ 1, 299 (2005).
42. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
43. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
44. C. Fiolhais, J. P. Perdew, S. Q. Armster, J. M. MacLaren, and M. Brajczewska, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.14001 51, 14001 (1995);
45. C. Fiolhais, J. P. Perdew, S. Q. Armster, J. M. MacLaren, and M. Brajczewska, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.13193 53, 13193 (1996).
46. R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985);
47. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
48. L. Verlet, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.159.98 159, 98 (1967);
49. W. C. Swope and H. C. Andersen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442716 76, 637 (1982).
50. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
51. D. R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.43.1494 43, 1494 (1979).
52. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
53. E. Anglada, J. M. Soler, J. Junquera, and E. Artacho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.205101 66, 205101 (2002).
54. V. Bonacić-Koutecký, J. Jellinek, M. Wiechert, and P. Fantucci, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475134 107, 6321 (1997);
55. D. Reichart, V. Bonacić-Koutecký, P. Fantucci, and J. Jellinek, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)01019-1 279, 129 (1997).
56. F. Calvo, S. Tran, S. A. Blundell, C. Guet, and F. Spiegelmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.10394 62, 10394 (2000).
57. D. D. Frantz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1397329 115, 6136 (2001).
58. M. Schmidt and H. Haberland, Eur. Phys. J. D EPJDF6 1434-6060 10.1007/s100530050290 6, 109 (1999).
59. O. Kostko, N. Morgner, M. Astruc Hoffmann, and B. von Issendorff, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2005-00099-3 34, 133 (2005).
60. S. Kümmel, M. Brack, and P. G. Reinhard, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.R1774 58, R1774 (1998);
61. S. Kümmel, M. Brack, and P. G. Reinhard, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.7602 62, 7602 (2000).
62. L. Kronik, I. Vasiliev, and J. R. Chelikowsky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.9992 62, 9992 (2000);
63. L. Kronic, I. Vasiliev, M. Jain, and J. R. Chelikowsky, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1390524 115, 4322 (2001).
64. I. A. Solov'yov, A. V. Solov'yov, and W. Greiner, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.65.053203 65, 053203 (2002).
65. Y. Ma and S. H. Garofalini, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.174109 73, 174109 (2006).
66. A. Aguado, L. Bernasconi, and P. A. Madden, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1556074 118, 5704 (2003).
67. A. Aguado, M. Wilson, and P. A. Madden, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1410393 115, 8603 (2001).