Journal
PHYSICS LETTERS A
Volume 381, Issue 4, Pages 339-343Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2016.10.062
Keywords
Energy material; Electrical transport properties; Thermoelectric properties; Carrier concentration; Density functional theory; Electronic structure
Categories
Funding
- Council of Scientific and Industrial Research (CSIR), India
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The band structure and thermoelectric properties of Half Heusler topological materials XPtBi (X = Sc,Y, Lu) have been investigated using density functional theory and semi-classical Boltzmann equations. At 5% strain, the band gap opens in all the materials but maximum band opens in LuPtBi and acts as thermoelectric materials. We have calculated the Seebeck coefficient, electrical conductivity, electronic thermal conductivity and lattice thermal conductivity of these materials. Thermoelectric properties at high temperature and lattice thermal conductivity of these materials are studied first time in this work. The thermoelectric performance of LuPtBi is high because of low lattice thermal conductivity as compared to ScPtBi and YPtBi. (C) 2016 Elsevier B.V. All rights reserved.
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