Mean-field potential calculations of high-pressure equation of state for BeO

A systematic study of the Hugoniot equation of state, phase transition, and the other thermodynamic proper-ties including the Hugoniot temperature, the electronic and ionic heat capacities, and the Gruneisen parameter for shock-compressed BeO, has been carried out by calculating the total free energy. The method of calculations combines first-principles treatment for 0 K and finite-T electronic contribution and the mean-field-potential approach for the vibrational contribution of the lattice ion to the total energy. Our calculated Hugoniot is in good agreement with the experimental data.