The influence of high pressure on mechanical, electronic, and thermoelectric transport properties of TbT₄P₁₂ (T = Fe, Ru, Os) have been studied. All the calculations were performed using the full-potential linearized augmented plane wave method, as implemented in the WIEN2k code. The exchange-correlation energy is obtained using generalized gradient approximation due to Perdew-Burke-Ernzerhof for solids. Optimized equilibrium lattice constants of these compounds are in good agreement with the reported experimental values. These compounds are metallic, mechanically stable, but brittle. The values of elastic constants increase with the increase in pressure and become stiffer at high pressure. TbT₄P₁₂ (T = Fe, Ru, Os) are suitable for low-temperature thermoelectric applications and among these compounds, TbFe₄P₁₂ is most efficient.

研究了高压对TbT ₄ P ₁₂（T = Fe，Ru，Os）的机械，电子和热电传输性能的影响。所有计算均使用WIEN2k代码中实现的全电势线性化增强平面波方法进行。由于使用了Perdew-Burke-Ernzerhof，因此可以使用广义梯度近似来获得交换相关能量。这些化合物的最佳平衡晶格常数与报道的实验值非常吻合。这些化合物是金属的，机械稳定的但易碎的。弹性常数的值随着压力的增加而增加，并且在高压下变得更硬。TbT ₄ P ₁₂（T ＝ Fe，Ru，Os）适合于低温热电应用，并且在这些化合物中，TbFe ₄ P ₁₂是最有效的。