[18p-P3-1~18] 9.4 Thermoelectric conversion

[18p-P3-12] Effect of impurity on thermoelectric properties of CH₃NH₃SnI₃

〇Kumiko Yamamoto¹, Jun Yamasaki¹, Gou Narita¹, Satoshi Iikubo¹ (1.Kyushu Inst. Tech.)

Keywords:thermoelectric, first-principles calculation, perovskite

Organic-inorganic perovskite compound CH₃NH₃SnI₃ shows good thermoelectric performance, because of the high electric conductivity and low thermal conductivity, which is reduced by specific motion of organic molecule. For the purpose of ZT improvement, we have studied the thermoelectric property of impurity doped system, where B site and X site is substituted by Ti, Cr, Fe etc. and Cl, Se etc., respectively by first-principles calculation. Among of them, ZT of structure with vacancy at B site become over twice as large as the value of MASnI₃. We will discuss about the ZT enhancement mechanism, where Seebeck coefficient may play important role for.