Abstract.
Putative global minima of sodium clusters with up to 380 atoms have been located for two model interatomic potentials in order to identify the structures responsible for the size-dependence of the thermodynamic properties in experiments. Structures based upon the Mackay icosahedra predominate for both potentials, and the magic numbers for the Murrell-Mottram model show excellent agreement with the sizes at which maxima in the latent heat and entropy change at melting have been found in experiment. In particular, the magic numbers at sizes intermediate between the complete Mackay icosahedra are due to unusual twisted icosahedral structures.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
M. Schmidt, R. Kusche, W. Kronmüller, B. von Issendorff, H. Haberland, Phys. Rev. Lett. 79, 99 (1997)
M. Schmidt, R. Kusche, B. von Issendorff, H. Haberland, Nature 393, 238 (1998)
M. Schmidt, R. Kusche, T. Hippler, J. Donges, W. Kronmüller, B. von Issendorff, H. Haberland, Phys. Rev. Lett. 86, 1191 (2001)
M. Schmidt, T. Hippler, J. Donges, W. Kronmüller, B. von Issendorff, H. Haberland, P. Labastie, Phys. Rev. Lett. 87, 203402 (2001)
M. Schmidt, J. Donges, T. Hippler, H. Haberland, Phys. Rev. Lett. 90, 103401 (2003)
F. Calvo, F. Spiegelmann, J. Chem. Phys. 112, 2888 (2000)
F. Calvo, F. Spiegelmann, J. Chem. Phys. 120, 9684 (2004)
K. Manninen, A. Rytkonen, M. Manninen, Eur. Phys. J. D 29, 39 (2004)
J.A. Reyes-Nava, I.L. Garzon, K. Michaelian, Phys. Rev. B 67, 165401 (2003)
S. Chacko, D.G. Kanhere, S.A. Blundell, Phys. Rev. B 71, 155407 (2005)
A. Aguado, J.M. López, Phys. Rev. Lett. 94, 233401 (2005)
A. Aguado, J. Phys. Chem. B 109, 13043 (2005)
H. Haberland, T. Hippler, J. Donges, O. Kotsko, M. Schmidt, B. von Issendorff, Phys. Rev. Lett. 94, 035701 (2005)
U. Röthlisberger, W. Andreoni, J. Chem. Phys. 94, 8129 (1991)
F. Calvo, S. Tran, S.A. Blundell, C. Guet, F. Spiegelmann, Phys. Rev. B 62, 10394 (2000)
S. Kümmel, M. Brack, P.G. Reinhard, Phys. Rev. B 62, 7602 (2000)
S.K. Lai, P.J. Hsu, K.L. Wu, W.K. Liu, M. Iwamatsu, J. Chem. Phys. 117, 10715 (2002)
I.A. Solov'yov, A.V. Solov'yov, W. Greiner, Phys. Rev. A 65, 053203 (2002)
K. Manninen, H. Häkkinen, M. Manninen, Phys. Rev. A 70, 023203 (2004)
D.J. Wales, J.P.K. Doye, J. Phys. Chem. A 101, 5111 (1997)
R.P. Gupta, Phys. Rev. B 23, 6265 (1981)
Y. Li, E. Blaisten-Barojas, D.A. Papaconstantopoulos, Phys. Rev. B 57, 15519 (1998)
J.N. Murrell, R.E. Mottram, Mol. Phys. 69, 571 (1990)
J.Y. Fang, R.L. Johnston, J.N. Murrell, Mol. Phys. 78, 1405 (1993)
H. Cox, R.L. Johnston, J.M. Murrell, J. Solid Stat. Chem. 145, 517 (1999)
The Cambridge Cluster Database, http://www-wales.ch.cam.ac.uk/CCD.html
J.A. Northby, J. Chem. Phys. 87, 6166 (1987)
J.P.K. Doye, D.J. Wales, J. Chem. Soc., Faraday Trans. 93, 4233 (1997)
D. Romero, C. Barrón, D. Gómez, Comp. Phys. Comm. 123, 87 (1999)
W.A. de Heer, Rev. Mod. Phys. 65, 611 (1993)
N. Pavloff, S.C. Creagh, Phys. Rev. B 48, 18164 (1993)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Noya, E., Doye, J., Wales, D. et al. Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour. Eur. Phys. J. D 43, 57–60 (2007). https://doi.org/10.1140/epjd/e2007-00092-x
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1140/epjd/e2007-00092-x