dorsal/arxiv
View SchemaWhy do gallium clusters have a higher melting point than the bulk?
| Authors | S. Chacko, Kavita Joshi, D. G. Kanhere, S. A. Blundell |
|---|---|
| Categories | |
| ArXiv ID | physics/0312110 |
| URL | https://arxiv.org/abs/physics/0312110 |
| DOI | 10.1103/PhysRevLett.92.135506 |
Abstract
Density functional molecular dynamical simulations have been performed on Ga$_{17}$ and Ga$_{13}$ clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Breaux {\em et al.}, Phys. Rev. Lett. {\bf 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 K and 1400 K for Ga$_{17}$ and Ga$_{13}$, 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.
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"abstract": "Density functional molecular dynamical simulations have been performed on\nGa$_{17}$ and Ga$_{13}$ clusters to understand the recently observed\nhigher-than-bulk melting temperatures in small gallium clusters [Breaux {\\em et\nal.}, Phys. Rev. Lett. {\\bf 91}, 215508 (2003)]. The specific-heat curve,\ncalculated with the multiple-histogram technique, shows the melting temperature\nto be well above the bulk melting point of 303 K, viz. around 650 K and 1400 K\nfor Ga$_{17}$ and Ga$_{13}$, respectively. The higher-than-bulk melting\ntemperatures are attributed mainly to the covalent bonding in these clusters,\nin contrast with the covalent-metallic bonding in the bulk.",
"arxiv_id": "physics/0312110",
"authors": [
"S. Chacko",
"Kavita Joshi",
"D. G. Kanhere",
"S. A. Blundell"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1103/PhysRevLett.92.135506",
"title": "Why do gallium clusters have a higher melting point than the bulk?",
"url": "https://arxiv.org/abs/physics/0312110"
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