English

Why do gallium clusters have a higher melting point than the bulk?

Atomic and Molecular Clusters 2009-11-10 v2

Abstract

Density functional molecular dynamical simulations have been performed on Ga17_{17} and Ga13_{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 Ga17_{17} and Ga13_{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.

Keywords

Cite

@article{arxiv.physics/0312110,
  title  = {Why do gallium clusters have a higher melting point than the bulk?},
  author = {S. Chacko and Kavita Joshi and D. G. Kanhere and S. A. Blundell},
  journal= {arXiv preprint arXiv:physics/0312110},
  year   = {2009}
}

Comments

4 pages, including 6 figures. accepted for publication in Phys. Rev. Lett

R2 v1 2026-07-22T18:58:00.585Z