The quaternary Heusler LuCoTiSi, LuCoTiGe, and LuCoTiSn compounds' physical properties have been investigated using the GGA approximation based on the density functional theory. These compounds are stable in the ferromagnetic phase and semi-stable in the non-magnetic phase. Elastic studies show that these compounds are quite stable and belong to the category of ductile materials. Phonon calculations also show that these two combinations are quite stable, and the phonon levels in the band structure are all in the positive region. The LuCoTiSi, LuCoTiGe, and LuCoTiSn compounds are half-metallic with 100% spin polarization with 2.0µ_B 3.0 µ_B, and 2.0µ_B, respectively. The maximum value of their Seebeck (S) coefficient occurred at 130 K. The figure of merit (ZT) coefficient of these compounds at 100 K equals one and decreased to room temperature with a gentle slope, indicating their thermoelectric efficiency at low and room temperatures. All compounds have accessible regions that referred to their thermodynamic stability. The LuCoTiGe case has a more extensive accessible region than other cases of the thermodynamic phase diagram.

已经使用基于密度泛函理论的 GGA 近似研究了四元 Heusler LuCoTiSi、LuCoTiGe 和 LuCoTiSn 化合物的物理性质。这些化合物在铁磁性相中是稳定的，在非磁性相中是半稳定的。弹性研究表明，这些化合物非常稳定，属于韧性材料类别。声子计算也表明这两种组合相当稳定，能带结构中的声子能级都在正区。LuCoTiSi、LuCoTiGe 和 LuCoTiSn 化合物是半金属的，具有 100% 自旋极化，具有 2.0µ _B、 3.0 µ _B和 2.0µ _B， 分别。它们的塞贝克 (S) 系数的最大值出现在 130 K。 这些化合物在 100 K 时的品质因数 (ZT) 系数等于 1 并以缓和的斜率下降到室温，表明它们在低温和室温下的热电效率. 所有化合物都有可接近的区域，这些区域与它们的热力学稳定性有关。LuCoTiGe 案例比热力学相图的其他案例具有更广泛的可访问区域。