[17p-C102-1~12] Novel physical properties and applications of ternary compounds

[17p-C102-5] Designing Mg₃Sb₂-based thermoelectric materials by multi-ternary defect chemistry

〇Hiromasa Tamaki¹, Hiroki Sato¹, Tsutomu Kanno¹ (1.Panasonic Corp.)

Keywords:thermoelectric material, defect

By recent advance of computational materials science, defect chemistry calculation method for designing carrier-doped states in semiconductors have been playing more important role in developping thermoelectric materials. In this talk, we introduce high thermoelectric performance of the n-type Mg₃Sb₂ (ZT = 1.5 at 700 K) that we discovered by DFT-data-driven screening. We also discuss novel electron doping strategy by multi-ternery defect chemistry concept in Mg₃Sb₂.