Structural and elastic properties of KBr at high pressure and high temperature

Abstract

ABSTRACTTo study phase transition and elastic properties at high pressures and high temperatures, we have developed a realistic interaction potential model (RIPZpe) including temperature effects. This model is completely suitable for explaining the inter-atomic interaction involved at high temperature and high pressure as it includes the three-body interaction (TBI) and zero point energy effects. The phase transition of KBr crystal at high pressure and high temperatures including the TBI is done for the first time. We have estimated the phase transition pressures, volume collapses and elastic behaviour at various high pressure and high temperatures by RIPZpe approach and the results found are well suited with available experimental data.