Anharmonic Properties of Aluminum from Direct Free Energy Interpolation Method*

Supported by the National Natural Science Foundation of China under Grant No. 41574076, the Young Core Teacher Scheme of Henan Province under Grant No. 2014GGJS-108, and the Fundamental and Cutting-edge Technology Research Program of Henan Province under Grant No. 152300410218

Zhao Zhi-Guo1, Sun Jun-Sheng2, Zhang Xiu-Lu3, Yang Hai-Feng1, Liu Zhong-Li1, *
       

(a) The calculated isothermal bulk modulus of Al at different pressures, in comparison with zero-pressure data[36] (open circles). (b) The calculated thermodynamic Grüneisen parameter compared with ab initio data from Ref. [37].