Structural, mechanical and thermo physical properties of III-V yttrium pnictides with NaCl-structure under high pressure

▶ In the present paper, we have investigated the high-pressure structural phase transition of yttrium pnictides (YX; X = N, P, As and Sb). ▶ An extended interaction potential (EIP) model has been developed (including the zero point energy effect in three body interaction potential model). ▶ Phase transition pressures are associated with a sudden collapse in volume. At compressed volumes, these compounds are found in CsCl phase. ▶ Due to the inclusion of charge effect our model is able to explain Cauchy violations (C12≠C44) in second order elastic constants.