Pressure induced structural and dynamical changes in liquid Si. An ab-initio study
arXiv:cond-mat/0603554 · doi:10.1088/0953-8984/18/15/006
Abstract
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.
10 pages, 11 figures. Accepted for publication in Journal of Physics: Condensed Matter