Structural Phase Transitions in HgSe_1-xTe_x Alloy at High Pressure

We have analyzed the pressure induced phase transition and mechanical properties of HgSe_1-xTe_x alloy by using three-body force potential model, which includes the long range as well as short range interactions, where Coloumb and three body interactions are the contents of long range part and the van der Waals interactions and the Hafemeister and Flygare type overlap repulsive interactions makes the short range part. The calculated transition pressure are 9.55, 10.76, 11.97, 13.18, 14.39 and 15.6 GPa for HgSe, HgSe_0.8Te_0.0, HgSe_0.6Te_0.2, HgSe_0.4Te_0.4, HgSe_0.2Te_0.6, HgSe_0.0Te_0.8, HgTe compounds respectively. Under compression, the calculation shows that the transition pressure increases as we increase the Te composition in HgSe.