arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1808.07973cond-mat.supr-con
收藏

PbBi $_2$ Te $_4$与两个Transition Temperatures中新的压力诱导超导性的数据驱动探索

Data-driven Exploration of New Pressure-induced Superconductivity in PbBi$_2$Te$_4$ with Two Transition Temperatures

Ryo Matsumoto, Zhufeng Hou, Masanori Nagao, Shintaro Adachi, Hiroshi Hara, Hiromi Tanaka, Kazuki Nakamura, Ryo Murakami, Sayaka Yamamoto, Hiroyuki Takeya, Tetsu… 展开作者

Ryo Matsumoto, Zhufeng Hou, Masanori Nagao, Shintaro Adachi, Hiroshi Hara, Hiromi Tanaka, Kazuki Nakamura, Ryo Murakami, Sayaka Yamamoto, Hiroyuki Takeya, Tetsuo Irifune, Kiyoyuki Terakura, Yoshihiko Takano

摘要:

采用高通量的第一性原理计算,从无机材料数据库AtomWork中搜索了具有窄带隙和近带边平坦带的热电和超导材料候选化合物。我们重点研究了PbBi $_2$ Te $_4$,它与采用同样的数据驱动方法研究的压致超导体SnBi 2 Se 4具有相似的电子能带结构和晶体结构。采用熔融慢冷法成功地合成了PbBi $_2$ Te $_4$单晶。芯能级X射线光电子能谱学分析揭示了PbBi $_2$ Te $_4$中Pb 2+、Bi 3+和Te 2-的价态。在常压下测量了PbBi $_2$ Te $_4$样品的热电性能,并在高压下使用具有掺硼金刚石电极的金刚石对顶砧单元评估了电阻率。电阻率随压力的增加而减小,在13.3GPa下的3.4K和21.7GPa下的8.4K出现了两次压力诱导超导转变。数据驱动的方法显示了加速发现新热电和超导材料的潜力。

英文摘要:

Candidates 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 PbBi$_2$Te$_4$ 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 PbBi$_2$Te$_4$ 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 PbBi$_2$Te$_4$. The thermoelectric properties of the PbBi$_2$Te$_4$ sample were measured at ambient pressure and the electrical resistivity was also evaluated under high pressure using a diamond anvil cell with boron-doped diamond electrodes. The resistivity decreased with increase of the pressure, and two pressure-induced superconducting transitions were discovered at 3.4 K under 13.3 GPa and at 8.4 K under 21.7 GPa. The data-driven approach shows promising power to accelerate the discovery of new thermoelectric and superconducting materials.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑