Theoretical investigation of phase transition of Lithium hydride (LiH)

This paper reveals the structural information of lithium hydride (LiH) at high pressure. The model potential incorporate coulomb interaction potential, short range interaction and van der Waal's attraction energy within the Hafemeister and Flygare approach and the potential term as effective interionic potential model. Values obtained via this technique for LiH, revealed successful phase transition from B1 or NaCl to B2 or CsCl, The estimated transition pressure is 200 GPa, which is quite consistent with the previously available data from different theoretically techniques.