Chacko, S. ; Joshi, Kavita ; Kanhere, D. G. ; Blundell, S. A. (2004) Why do gallium clusters have a higher melting point than the bulk? Physical Review Letters, 92 (13). 135506_1-135506_4. ISSN 0031-9007
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Official URL: http://prl.aps.org/abstract/PRL/v92/i13/e135506
Related URL: http://dx.doi.org/10.1103/PhysRevLett.92.135506
Abstract
Density functional molecular dynamical simulations have been performed on Ga17 and Ga13 clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [G.A. Breaux et al., Phys. Rev. Lett. 91, 215508 (2003)]. The specific-heat curve, calculated with the multiple-histogram technique, shows the melting temperature to be well above the bulk melting point of 303 K, viz., around 650 and 1400 K for Ga17 and Ga13, respectively. The higher-than-bulk melting temperatures are attributed mainly to the covalent bonding in these clusters, in contrast with the covalent-metallic bonding in the bulk.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Physical Society. |
ID Code: | 16172 |
Deposited On: | 15 Nov 2010 14:05 |
Last Modified: | 17 May 2016 00:59 |
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