[22p-P05-1~4] 13.2 Exploratory Materials, Physical Properties, Devices

[22p-P05-3] Thermoelectric properties of lanthanide-doped perovskite SrTiO₃ by DFT+U calculation

〇(BC)Yuta Onodera¹, Mariko Murayama¹, Yuri Tamamoto¹, Motohisa Nohmi¹, Xinwei Zhao¹ (1.Tokyo Univ. of Science)

Keywords:strontium titanate, lanthanide, thermoelectric materials

SrTiO₃ has a huge Seebeck coefficient and is known as a potential candidate for thermoelectric materials. However, its physical properties degrade in the high temperature region. To solve this problem, we investigated the thermoelectric properties of Ln(=Ce,Sm,Eu,Gd)-doped SrTiO₃ based on DFT+U calculation. The thermoelectric properties of Ln-doped SrTiO₃ with 12.5% occupied Sr sites were found to be superior to those of SrTiO₃ in the same high temperature region.