Fig. 1. The EOS of fcc and bct Ce-La-Th together with the experimental data (the black solid point is the result of the structure optimization, the black solid line is the fitting result of the EOS), together with the experimental data for Ce_0.76Th_0.24^[21] and the calculated results for Ce^[20], Th^[19], Ce_0.875La_0.125^[12]. 体积随压强变化的规律(黑色实点为直接加压结构优化后的结果, 黑色实线为状态方程拟合结果), 并与已有的Ce^[20], Th^[19], Ce_0.875La_0.125^[12]的计算值及Ce_0.76Th_0.24^[21]实验值进行比较

Fig. 2. (a) Lattice constants a and c of Ce_0.8La_0.1Th_0.1 as functions of volume; (b) the calculated axial ratio (c/a) of bct phase as functions of pressure. (a) 晶格参数随体积的变化关系; (b) 轴向比c/a随压强的变化关系, 并与已有的Ce_0.76Th_0.24^[21]实验结果和Ce_0.875La_0.125^[12]、纯Ce^[6]、纯Th^[11]计算结果进行比较

Fig. 3. Elastic constants as functions of pressure.Ce-La-Th合金fcc相及bct相弹性常量随压强的变化

Fig. 4. Shear modulus G, bulk modulus B and Young′s modulus E as functions of pressure. 剪切模量G、体模量B和杨氏模量E随压强的变化

Fig. 5. The Debye temperature as a function of pressure.德拜温度随压强的变化

Fig. 6. Isotherms at different temperatures, where V₀ is the volume at zero temperature and zero pressure; the volumes at zero pressure as functions of temperature (the insert) . 不同温度下的等温线, 其中V₀为零温零压下的体积, 小图为零压下体积随温度的变化

Fig. 7. The constant volume heat capacity C_V versus temperature (a) and pressure (b), and the entropy S versus temperature (c) and pressure (d). 定容热容C_V随温度(a)和压强(b)的变化, 以及熵S随温度(c)和压强(d)的变化; 图中阴影区域包含fcc和bct两相的数据