中国物理B ›› 2008, Vol. 17 ›› Issue (4): 1341-1348.doi: 10.1088/1674-1056/17/4/031
张其黎, 张平, 宋海峰, 刘海风
Zhang Qi-Li(张其黎)†, Zhang Ping(张平), Song Hai-Feng(宋海峰), and Liu Hai-Feng(刘海风)
摘要: A systematic study of the Hugoniot equation of state, phase transition, and the other thermodynamic properties including the Hugoniot temperature, the electronic and ionic heat capacities, and the Gr\"{u}neisen 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.
中图分类号: (High-pressure effects in solids and liquids)