Transition between icosahedral and cuboctahedral nanoclusters of lead

Journal of Physical Chemistry B

Volumn 110, Issue 48, 2006, Pages 24642-24645

  Wei, C M ^a,b   Cheng, C ^c   Chang, C M ^d  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b INSTITUTE OF PHYSICS   (Taiwan)

^c NATIONAL CHENG KUNG UNIVERSITY   (Taiwan)

^d NATIONAL DONG HWA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON TRANSITIONS; LEAD; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

CUBOCTAHEDRAL (FCC) STRUCTURES; ENERGY SURFACES; ICOSAHEDRAL (ICO) STRUCTURES; TRANSITION PATHWAYS;

NANOSTRUCTURED MATERIALS;

EID: 33846044742     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063982o     Document Type: Article

References (27)

1. (a) Farges, J.; de Feraudy, M. F.; Raoult, B.; Torchet, G. J. Chem. Phys. 1983, 78, 5067.
2. (b) Farges, J.; de Feraudy, M. F.; Raoult, B.; Torchet, G. J. Chem. Phys. 1986, 84, 3491.
3. (c) Farges, J.; de Feraudy, M. F.: Raoult, B.: Torchet, G. Adv. Chem. Phys. 1988, 70, 45.
4. Koga, K.; Ikeshoji, T.; Sugawara, K. Phvs. Rev. Lett. 2004, 92, 115507.
5. Doye, J. P. K.; Calvo, F. J. Chem. Phys. 2002, 116, 8307.
6. Hendy, S. C.; Hall, B. D. Phys. Rev. B 2001, 64, 85425.
7. Mackay, A. L. Acta Crystallogr. 1962, 15, 916.
8. For example, see http://chemistry.uoregon.edu/herrick.html,
9. Mills, G.; Johsson, H.; Schenter, G. K. Surf. Sci. 1995, 324, 305.
10. Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864.
11. Perdew, J. P.; Burke, K.; Emzerhof, M. Phys. Rev. Lett. 1996, 77. 3865.
12. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
13. (a) Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558.
14. (b) Kresse, G.; Hafner, J. Phys. Rev. B 1994, 49, 14251.
15. (c) Kresse, G.; Furthmüller, J. Phvs. Rev. B 1996, 54, 11169.
16. (d) Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15.
17. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953.
18. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758.
19. Sonntag, H.; Weber, R. J. Mol. Spectrosc. 1983, 100, 75.
20. Frohen, F.; Schulze, W.; Kloss, U. Chem. Phys. Lett. 1983, 99, 500.
21. Roos, B. O.; Malmqvist, P. Phys. Chem. Chem. Phys. 2004, 6, 2919
22. Molina, L. M.; Lopez, M. J.; Rubio, A.; Balbas, L. C.; Alonso, J. A. Adv. Quantum Chem. 1999, 33, 329.
23. Nosé, S. J. Chem. Phys. 1984, 81, 511.
24. Uppenbrick, J.; David Wales, J. J. Chem. Soc., Faraday Trans. 1991, 87, 215.
25. Doye, J. P. K. Comput. Mater. Sci. 2006, 35, 227.
26. Rao, B. K.; Khanna, S. N.; Jena, P. Phys. Rev. B 2000, 62, 4666,
27. Voter, A. F.; Chen, S. P. In Characterization of Defects in Materials; Siegel, R. W., Weertman, J. R., Sinclair, R., Eds.; MRS Symposia Proceedings No. 82; Materials Research Society: Pittsburgh, PA, 1987; p 175.