Data-driven exploration of new pressure-induced superconductivity in PbBi2Te4

Science and Technology of Advanced Materials

Tetsuo Irifune¹  Shintaro Adachi²  Ryo Matsumoto²  Hiroyuki Takeya²  Zhufeng Hou²  Kiyoyuki Terakura²  Hiroshi Hara²  Yoshihiko Takano²  Kazuki Nakamura³  Ryo Murakami³  Hiromi Tanaka³  Sayaka Yamamoto³  Masanori Nagao⁴ 

[1] Ehime University;National Institute for Materials Science;National Institute of Technology;University of Yamanashi;

关键词: Data-driven;    superconductivity;    high-pressure;   

DOI  :  10.1080/14686996.2018.1548885

来源: DOAJ

【 摘 要 】

Candidate compounds for new thermoelectric and superconducting materials, which have narrow band gap and flat bands near band edges, were exhaustively searched by the high-throughput first-principles calculation from an inorganic materials database named AtomWork. We focused on PbBi2Te4 which has the similar electronic band structure and the same crystal structure with those of a pressure-induced superconductor SnBi2Se4 explored by the same data-driven approach. The PbBi2Te4 was successfully synthesized as single crystals using a melt and slow cooling method. The core level X-ray photoelectron spectroscopy analysis revealed Pb2+, Bi3+ and Te2- valence states in PbBi2Te4. The thermoelectric properties of the PbBi2Te4 sample were measured at ambient pressure and the electrical resistance was also evaluated under high pressure using a diamond anvil cell with boron-doped diamond electrodes. The resistance decreased with increasing of the pressure, and pressure-induced superconducting transitions were discovered at 2.5 K under 10 GPa. The maximum superconducting transition temperature increased up to 8.4 K at 21.7 GPa. The data-driven approach shows promising power to accelerate the discovery of new thermoelectric and superconducting materials.

【 授权许可】

Unknown