Fig. 1. (a) L2₁ structure of Co₂FeAl_1－xSi_x (x = 0.25); (b)thin film structure of Co₂FeAl_0.75Si_0.25. (a) Co₂FeAl_1－xSi_x (x = 0.25)的L2₁结构; (b) Co₂FeAl_0.75Si_0.25的薄膜结构

Fig. 2. Optimization curves of lattice constant for Co₂FeAl_1－xSi_x alloy under ferromagnetic and antiferromagnetic magnetic order. Co₂FeAl_1－xSi_x合金在铁磁态(FM)和反铁磁态(AFM)下的晶格常数优化曲线 (a) x = 0.25; (b) x = 0.5; (c) x = 0.75

Fig. 3. Energy band structure of (a) Co₂FeAl_0.75Si_0.25, (b) Co₂FeAl_0.5Si_0.5 and (c) Co₂FeAl_0.25Si_0.75. (a) Co₂FeAl_0.75Si_0.25, (b) Co₂FeAl_0.5Si_0.5和(c) Co₂FeAl_0.25Si_0.75的能带结构

Fig. 4. Thetotaland atom-projected density of states for Heusler alloys Co₂FeAl_1－xSi_x (x = 0.25, 0.5, 0.75） film in (a), (b) and (c). (a) Co₂FeAl_0.75Si_0.25,(b) Co₂FeAl_0.5Si_0.5和(c) Co₂FeAl_0.25Si_0.75的总态密度和分态密度

Fig. 5. The transport properties with variation of chemical potential for Co₂FeAl_1－xSi_x(x = 0.25, 0.5 and 0.75). The case of x = 0.25 corresponds to (a), (b), (c) and (d), and the case of x = 0.5 corresponds to (e), (f), (g) and (h), and the case of x = 0.75 corresponds to (i), (j), (k) and (l). The four columns from left to right correspond to the Seebeck coefficients S, electrical conductivity , electronic thermal conductivity and PF ( ), respectively. Co₂FeAl_0.75Si_0.25向下自旋态的(a)Seebeck系数, (b)电导, (c)热导和(d)功率因子随化学势的变化; Co₂FeAl_0.5Si_0.5向下自旋态的(e) Seebeck系数, (f)电导, (g)热导和(h) 功率因子随化学势的变化; Co₂FeAl_0.25Si_0.75向下自旋态的(i)Seebeck系数, (j)电导, (k)热导和(l)功率因子随化学势的变化

Fig. 6. Full phonon spectra of Co₂FeAl_1－xSi_x (x = 0.25, 0.5 and 0.75) alloys in (a), (b) and (c). The temperature dependent heat capacity C_v with an inset graph showing the temperaturefrom 180 K to 250 K in (d). Co₂FeAl_1－xSi_x合金在x = 0.25, 0.5, 0.75时的声子谱及比热容 (a) Co₂FeAl_1－xSi_x (x = 0.25), (b) Co₂FeAl_1－xSi_x (x = 0.5)和(c) Co₂FeAl_1－xSi_x (x = 0.75)的声子谱; (d) Co₂FeAl_1－xSi_x (x = 0.25, 0.5, 0.75)的比热容随温度的变化

Fig. 7. Thetotaland atom-projected density of states for Co₂FeAl_1－xSi_x (x = 0.25, 0.5 and 0.75) film in (a), (b) and (c). (a) Co₂FeAl_0.75Si_0.25, (b) Co₂FeAl_0.5Si_0.5和(c) Co₂FeAl_0.25Si_0.75薄膜的总态密度和原子分态密度

Fig. 8. Calculated total energies as a function of the c/a ratio for Co₂FeAl_1－xSi_x (x = 0.25, 0.5 and 0.75) Heusler alloys in (a), (b) and (c) andfilm materials in (d), (e) and (f). (a) x = 0.25,(b) x = 0.5和(c) x = 0.75替代浓度下Co₂FeAl_1－xSi_x合金体相的总能量差 与畸变度c/a的关系; (d) x = 0.25, (e) x = 0.5和(f) x = 0.75替代浓度下Co₂FeAl_1－xSi_x薄膜的驱动力 与畸变度c/a的关系

Fig. 9. The total magnetic moment and the magnetic moment of each atom of Co₂FeAl_1－xSi_x film change with distortion at x = 0.25, x = 0.5 and x = 0.75 in (a), (b) and (c). (a) x = 0.25,(b) x = 0.5和(c) x = 0.75替代浓度下Co₂FeAl_1－xSi_x合金薄膜的总磁矩及各原子总磁矩随畸变度的变化