MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
Improvement of the Thermoelectric Performance of Pseudogap and Narrow-Gap Compounds via Theoretical Calculations
Yoshiki Takagiwa
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2018 Volume 59 Issue 9 Pages 1411-1416

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Abstract

This review briefly discusses the relationship between the crystal structures, electronic structures, and thermoelectric properties of materials such as pseudogap quasicrystals and related approximant crystals, narrow-gap binary intermetallic compounds, and lead chalcogenides. The approach used is to identify the materials’ intrinsic physical properties from experimental data and establish a route for tuning their properties based on theoretical models and first-principles calculations. A possible route for improving thermoelectric performance is to use a band engineering approach, such as band convergence and introducing impurity states near the valence and conduction band edges. This approach was successfully applied to TiSi2-type RuGa2 and the lead chalcogenides PbTe and PbSe.

 

This Paper was Originally Published in Japanese in J. Thermoelectrics Soc. Japan 14 (2018) 120–125.

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© 2018 The Thermoelectrics Society of Japan
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