[17p-C301-1~11] 9.4 Thermoelectric conversion

3:00 PM - 3:15 PM JST(6:00 AM - 6:15 AM UTC)

[17p-C301-6] Electronic structure of colusite-based thermoelectric materials

〇Koichiro Suekuni¹, Takashi hagiwara¹, Shota Ochi², Susumu Fujii^2,3, Seiya Takahashi⁴, Eiji Nishibori⁴, Masato Yoshiya², Michitaka Ohtaki¹ (1.IGSES, Kyushu Univ., 2.Osaka Univ., 3.Fac. of Eng., Kyushu Univ., 4.Univ. of Tsukuba)

Keywords:

thermoelectric materials,sulfides,electronic structure

Colusites are p-type thermoelectric materials combining low thermal conductivity and relatively high power factor. In this study, we investigate the modification of electronic structure and its factors in colusites with different T ions by ab initio calculations. The results suggested that the T-S bond and the energy of the d-orbital of the T ion play an important role in the electronic structure.