Determination of low-pressure crystalline-liquid phase boundary of SnI

Fuchizaki, Kazuhiro*; Fujii, Yasuhiko*; Oishi, Yasuo*; Omura, Ayako*; Hamaya, Nozomu*; Katayama, Yoshinori; Okada, Taku

Journal of Chemical Physics, 120(23), p.11196 - 11199, 2004/06

https://doi.org/10.1063/1.1751397

The location of the liquidus in the low-pressure crystalline phase of SnI was determined utilizing X-ray diffraction measurements under pressures up to approximately GPa. The liquidus is not well fitted to a monotonically increasing curve such as Simon's equation, but breaks near GPa and then becomes almost flat. The results are compared to those from molecular dynamics simulations. Ways to improve the model potential adopted in the simulations are discussed.