Investigation of SrS under high pressure including the role of temperature

In this paper we focus on the structural and elastic properties of the B1 phase of SrS by using the modified TBP model, including the role of temperature. We have successfully obtained the phase transition pressures and volume changes at different temperatures. In addition elastic constants and anisotropy factor (A) of B1 phase of SrS at different temperatures are discussed. Our results are comparable with the previous ones at high temperatures and pressures. The elastic properties of the B1 phase of SrS have been discussed with various temperature and pressure. More over the thermal properties like Debye temperature, Thermal expansion coefficient (α) and Gruneisen parameter (γ) and anisotropy factor at high temperatures have also been discussed successfully.

Graphical abstractWe have calculated the volume at different temperature and pressure for SrS. The variations of volume V(a03), where a0 is Bohr radius with pressure at temperatures 300 K and 1200 K are plotted and compared with first principle calculations.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► We have investigated the phase transition of SrS at different temperatures. ► The MIPM model including the temperature effect has been used. ► Phase transition pressures are associated with a sudden collapse in volume. ► Our results show a generally good agreement with available data.