The static and dynamic properties of liquid Si at high-pressure have been studied using the orbital free ab-initio molecular dynamics method. Four thermodynamic states at pressures 4, 8, 14 and 23 GPa are considered. The calculated static structure shows qualitative agreement with the available experimental data. We analize the remarkable structural changes occurring between 8 and 14 GPa along with its effect on several dynamic properties.
@article{arxiv.cond-mat/0603554,
title = {Pressure induced structural and dynamical changes in liquid Si. An ab-initio study},
author = {A. Delisle and D. J. Goznalez and M. J. Stott},
journal= {arXiv preprint arXiv:cond-mat/0603554},
year = {2009}
}
Comments
10 pages, 11 figures. Accepted for publication in Journal of Physics: Condensed Matter