Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/2345
Title: Strain effect on topological and thermoelectric properties of half Heusler compounds XPtS (X = Sr, Ba)
Authors: Yadav, A.
Kumar, S.
Muruganathan, M.
Kumar, R.
Keywords: topological
half Heusler compounds
thermoelectric
first principles calculations
Issue Date: 2-Aug-2021
Abstract: In this article, we report theoretical investigations of topological and thermoelectric (TE) properties of non-centrosymmetric half Heusler compounds XPtS (X = Sr, Ba) using first principles calculations. In addition, we also investigated the effect of static strain (up to 10%) on its topological and TE properties. Our detailed investigations show that the XPtS compounds are topological insulators (TIs) and continue as TIs up to a strain of 10%. However, the band gap becomes a maximum of 0.213 eV under a strain of 3% for SrPtS and 0.164 eV at a strain of 5% for BaPtS. TE investigations show that the figure of merit (a measure of TE performance) ZT becomes maximum (0.222) at room temperature for BaPtS under a strain of 1%. The detailed theoretical investigations of XPtS with and without strain provide a theoretical platform for experiments and its possible applications in spintronics and thermoelectricity.
URI: http://localhost:8080/xmlui/handle/123456789/2345
Appears in Collections:Year-2021

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