Theoretical Study on Equation of State of Porous Mo and Sn

We present a first-principles scheme to investigate the equation of state (EOS) of porous materials, based on our recently developed modified mean-field potential approach. By taking the effect of the structural parameters on the free energy into account, we calculate the total energy of materials with initial different densities and then study the EOS of porous Mo and Sn as a prototype. The calculated results are in good agreement with the experimental data available, which demonstrates that our scheme is suitable for investigating EOS of porous materials over a wide range of porosities and pressures.