A first principle study of thermo-physical properties of RhN under high temperatures and high pressures

A combined high pressure and high temperature investigation of RhN have been explored by density functional theory (DFT) within the generalized gradient approximation (GGA). The structure of RhN was found stable in zinc blende cubic(B3) considering the hybrid exchange correlation (PBE) approach. The themophysical properties of RhN is investigated in most stable Zinc blende (B3) structure and it has many geophysical applications. The significant thermophysical properties viz. Debye temperature, bulk modulus, gruneisen parameter, isothermal expansion coefficients, heat capacity and entropy have been reported for the first time at high temperature and high pressures. The result obtained by present study indicates that the RhN has high hardness and melting point among the transition-metal mononitrides compounds.