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arXiv · 1902.09770

Data-driven Exploration of Pressure-Induced Superconductivity in AgIn$_{5}$Se$_{8}$

Ryo Matsumoto·Hiroshi Hara·Zhufeng Hou·Shintaro Adachi·Hiromi Tanaka·Sayaka Yamamoto·Yoshito Saito·Hiroyuki Takeya·Tetsuo Irifune·Kiyoyuki Terakura·Yoshihiko Takano
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Abstract

Candidates compounds for new thermoelectric and superconducting materials, which have narrow band gap and flat bands near band edges, were exhaustively searched by a high-throughput first-principles calculation from an inorganic materials database named AtomWork. We focused on AgIn$_{5}$Se$_{8}$ which has high density of state near the Fermi level. AgIn$_{5}$Se$_{8}$ was successfully synthesized as single crystals using a melt and slow cooling method. The single-crystal X-ray diffraction analysis revealed the obtained crystal is high quality without deficiencies. The valence states in AgIn$_{5}$Se$_{8}$ were determined to be Ag1+, In3+ and Se2- in accordance with a formal charge by the core level X-ray photoelectron spectroscopy analysis. The electrical resistance was evaluated under high pressure using a diamond anvil cell with boron-doped diamond electrodes. Although the sample was insulator with a resistance of above 40 M{\Omega} at ambient pressure, the resistance markedly decreased with increase of the pressure, and a pressure-induced superconducting transition was discovered at 3.4 K under 52.5 GPa. The transition temperature increased up to 3.7 K under further pressure of 74.0 GPa.

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Ryo Matsumoto, Hiroshi Hara, Zhufeng Hou, Shintaro Adachi, Hiromi Tanaka, Sayaka Yamamoto, Yoshito Saito, Hiroyuki Takeya, Tetsuo Irifune, Kiyoyuki Terakura, Yoshihiko Takano. 2019-02-26. Data-driven Exploration of Pressure-Induced Superconductivity in AgIn$_{5}$Se$_{8}$. https://doi.org/10.1021/acs.inorgchem.9b02295

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