EPJ Web Conf.
Volume 151, 201716th International Conference on Liquid and Amorphous Metals (LAM-16)
|Number of page(s)||11|
|Section||Structure of liquids|
|Published online||21 August 2017|
Pressure dependence of the static structure of liquid GeTe based on ab initio molecular dynamics simulations
Depertment of Physics, Kumamoto University, Kumamoto 860-8555, Japan
* Corresponding author: email@example.com
Published online: 21 August 2017
We have investigated the pressure dependence of the static structure of liquid GeTe based on ab initio molecular dynamics simulations. The pressure range is between ambient pressure and 250 GPa, and their temperatures between 1000 K and 4000 K, which keep the liquid state. In this study, we found two transition stages caused by the compression. At the first stage, below 12 GPa, atomic distances elongate and Peierls-type distortion is dissolved with increasing pressure. At the second stage, above 12 GPa, atomic distances shorten and the electronic states shows metallic.
© The Authors, published by EDP Sciences, 2017
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Initial download of the metrics may take a while.