Abstract:The potential of Heusler materials to provide interesting aspects predominantly of vital physical properties along with typical variations has extended their prospects for thermoelectric applicability. Herein, highly precise and high‐throughput density functional theory (DFT) calculations along with Boltzmann transport simulation scheme are intensely applied to deliver the numerous physical properties of two Cobalt‐based Heusler materials. The geometric structural optimization of both these alloys suitably app… Show more
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