Abstract
We report results for the structural, dynamical, and electronic properties of liquid GaSb and liquid InSb simulated by using ab initio molecular dynamics. Our calculated structure factors and pair correlation functions for and are in good agreement with available experimental data. The calculated results indicate that covalent heteroatomic bonds similar to those of the crystalline phase are preserved in the liquid state, and the local structures of Ga (In) and Sb atoms in and are analogous with those in pure-element liquids.
5 More- Received 23 June 2004
DOI:https://doi.org/10.1103/PhysRevB.71.104206
©2005 American Physical Society