Pressure induced phase transition in CeN with NaCl_type structure

International Conference on Materials Science and Technology 2012

Dubey, R.^1 ; Singh, S.^1 ; Sarwan, M.^1

High Pressure Research Lab, Department of Physics, Barkatullah University, Bhopal

462026, India^1

关键词: Function of pressure;    Interaction potential models;    Lattice energies;    Polarizability effects;    Pressure-induced phase transition;    Repulsive interactions;    Three-body interaction;    Transition pressure;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/73/1/012016/pdf
DOI  :  10.1088/1757-899X/73/1/012016

来源: IOP

【 摘 要 】

We have expressed the Gibbs free energy for CeN compound as a function of pressure and charge transfer through improved interaction potential model (IIPM). The lattice energy in it has been represented by an IIPM which include Coulomb interaction, three body interaction, polarizability effect and overlap repulsive interaction. The phase transition pressure and relative compression reveal that this compound shows a B1-B2 phase transition and this approach are found to be the experimental data in future. The phase transition pressures and volume collapses obtained from this model show a generally good agreement with available results.