The 77th JSAP Autumn Meeting, 2016

Presentation information

Oral presentation

9 Applied Materials Science » 9.4 Thermoelectric conversion

[15p-A35-1~16] 9.4 Thermoelectric conversion

Thu. Sep 15, 2016 1:30 PM - 6:00 PM A35 (303-304)

Yoichi Okamoto(National Defence Academy), Atsuko Kosuga(Osaka Pref. Univ.), Takashi Komine(Ibaraki Univ.)

4:00 PM - 4:15 PM

[15p-A35-10] Data-driven screening and discovery of high thermoelectric performance in n-type Mg3(Sb,Bi)2

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

Keywords:Thermoelectric, Zintl phase, Data-driven

We performed screening of known parent compounds by calculation using a simplified material descriptor NV/m*. Here, NV and m* are the number of valleys and the carrier effective mass, respectively. We discovered the promising Zintl compound Mg3Sb2, the conduction band of which has multi-valley Fermi surface (NV = 6) and light conduction-band effective mass (m* = 0.19me). With a help of the electronic states calculation and the chemical optimization, we succeeded in synthesizing n-type Mg3.2Sb1.5Bi0.49Te0.01 with the excellent ZT of 1.51 at 716 K.