https://doi.org/10.1051/epjconf/201715101002
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: koura@kumamoto-u.ac.jp
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
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