[20a-PB1-1~15] 9.4 Thermoelectric conversion

[20a-PB1-10] Ground-state search by evolutionary algorithm and their thermoelectric properties of perovskite iodide

〇Kumiko Yamamoto¹, Satoshi Iikubo^1,2 (1.Kyushu Inst. Tech., 2.JST-CREST)

Keywords:thermoelectric, evolutionary algorithms, perovskite

Organic-inorganic perovskite compound CH₃NH₃SnI₃ shows good thermoelectric performance, because of the high electric conductivity and low thermal conductivity. However, it shows the low structural stability. For the improvement of the structural stabilization, we have searched the novel thermoelectric material of organic-inorganic perovskite compound using evolutionary algorithms which enable us to search the stable structures among various crystal structures without any limitation of the initial atomic configuration.