[12p-A301-1~9] Development of multinary compounds based on engineering for diverse stable phases -Future Materials Exploring Initiative ~Future of Environment and Energy Materials~ -

[12p-A301-5] Development of high-performance thermoelectric materials in multinary systems

〇Tsunehiro Takeuchi^1,2,3,4 (1.Toyota Tech. Inst., 2.JST CREST, 3.JST MIRAI, 4.Nagoya Univ.)

Keywords:thermoelectric materials, electronic structure, phonon scattering

Thermoelectric generators have attracted considerable interest because of their ability in converting unused waste heat into useful electricity. We constructed a guiding principle for developing high-performance thermoelectric materials on the basis of linear response theory. The principle consists of conditions for electronic structure, crystalline structure, and material structure. In this presentation, this guiding principle is explained in detail together with the importance of the use of multinary systems.
Using the proposed principle, we succeeded in developing Si-Ge-X-Y quaternary thermoelectric materials possessing the largest dimensionless figure of merit ZT ever reported for bulk materials. Their thermoelectric performance is also explained in detail together with the characteristics in electronic structure, crystal structure, and material structure.