Abstract
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.
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