Recently a noteworthy development in the thermoelectric performance of skutterudites has been achieved by implementing void fillers in the caged structures. In present work, we employ a systematic study on the effect of Sr-filled SrRu₄As₁₂ on its thermoelectric properties based on first principles calculations. SrRu₄As₁₂ crystallizes in ferromagnetic phase having the brittle nature. On application of mBJ potential the energy levels in the conduction band shift towards the Fermi level, promoting two carrier pockets which is an effective scheme to attain the robust thermopower. SrRu₄As₁₂ attribute high Grüneisen parameter of 2.13, which imitates the anharmonic effect that ascribes low lattice thermal conductivity. SrRu₄As₁₂ skutterudite demonstrates pleasing transport parameters viz. high Seebeck coefficient along with robust power-factor, which makes SrRu₄As₁₂ an attractive material for high-performance thermoelectrics.

最近，通过在笼状结构中添加空隙填充剂，方钴矿的热电性能得到了显着发展。在当前的工作中，我们基于第一性原理计算，对Sr填充SrRu ₄ As ₁₂对其热电性质的影响进行了系统的研究。SrRu ₄ As ₁₂在具有脆性的铁磁相中结晶。施加mBJ势能后，导带中的能级向费米能级移动，从而促进了两个载流子腔，这是获得强大热功率的有效方案。SrRu ₄ As ₁₂属性的高Grüneisen参数为2.13，它模仿归因于低晶格热导率的非谐效应。SrRu ₄ As ₁₂方钴矿显示出令人满意的运输参数，即。高Seebeck系数以及强大的功率因数，这使得SrRu ₄ As ₁₂成为高性能热电材料的诱人材料。