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 comparison of the calculated 0 GPa phonon dispersion curves of Al with experimental data at 298 K.[26] The circle indicates the negative frequencies at point. (b) The phonon DOS of Al at atomic volume of 16.61 Å from 0 to 900 K with the interval of 100 K along the arrow direction.