Enhanced thermoelectric figure-of-merit <em>ZT</em> in layered SnSe doped with isovalent Te and its origin clarified by density functional theory

XINYI HE

Presentation information

Oral Session

D. Frontiers of Advanced Electronic Materials » [D-3] Defect Functionalized Energy and Electronic Materials

[D3-O10] Slot 10

Thu. Dec 16, 2021 4:00 PM - 6:00 PM Room M (G312+313)

Chair: Toshio Kamiya (Tokyo Tech), David Scanlon (UCL)

5:00 PM - 5:15 PM

[D3-O10-04] Enhanced thermoelectric figure-of-merit ZT in layered SnSe doped with isovalent Te and its origin clarified by density functional theory

*XINYI HE¹, Haoyun Zhang¹, Takumi Nose¹, Takayoshi Katase¹, Terumasa Tadano², Keisuke Ide¹, Hidenori Hiramatsu^1,3, Hideo Hosono³, Toshio Kamiya^1,3 (1. MSL, Tokyo Tech, Japan (Japan), 2. NIMS, Japan (Japan), 3. MCES, Tokyo Tech, Japan (Japan))

Keywords:Thermoelectric material, Carrier doping, Defect calculation, Phonon transport

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