Structural Analysis and Elastic Behaviour in CEN with NaCl–type Structure

摘要

we have expressed the Gibbs free energy for CeN compound as a function of pressure and charge transfer though improved interaction potential model (IIPM). The lattice energy in it has been represented by an IIPM consisting of the long range coulomb interaction, three body interaction, polarizability effect and overlap repulsive interaction effective up to the second neighbour ions. Using this approach high pressure phase transition phenomena in CeN have been explored. The phase transition pressure, volume collapse and elastic properties for CeN predicted from this approach are found to be the experimental data in future. This shows that the inclusion of three body interaction effects and polarizability effects makes the present model suitable for high pressure studies. Moreover, the elastic properties of CeN are also investigated.