Two pressure-induced superconducting transitions in SnBi2Se4 explored by data-driven materials search: new approach to developing novel functional materials including thermoelectric and superconducting materials
Two pressure-induced superconducting transitions in SnBi2Se4 explored by data-driven materials search: new approach to developing novel functional materials including thermoelectric and superconducting materials
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DOI：
10.7567/apex.11.093101
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发表时间：
2018-09-01
影响因子：
2.3
通讯作者：
Takano, Yoshihiko
中科院分区：
文献类型：
--
作者：
Matsumoto, Ryo;Hou, Zhufeng;Takano, Yoshihiko
通过高通量的第一性原理计算，从无机材料数据库中搜索了具有窄带隙和带边附近平坦带的新型热电和超导材料的候选者。在目标化合物中，合成的SnBi_2Se_4具有接近200 meV的窄带隙和接近1 W·K ~（-1）的热导率。样品SnBi 2Se 4在11.1 GPa下表现出金属-绝缘体转变，正如理论估计所预测的。此外，在20.2和47.3GPa下发现了两个压力诱导的超导转变。数据驱动的搜索是发现新功能材料的一种有前途的方法。(c)2018日本应用物理学会
Candidates for new thermoelectric and superconducting materials, which have narrow band gaps and flat bands near band edges, were searched by high-throughput first-principles calculation from an inorganic materials database. The synthesized SnBi2Se4 among the target compounds showed a narrow band gap of similar to 200meV and a thermal conductivity of similar to 1W.K-1.m(-1) at ambient pressure. The sample SnBi2Se4 showed a metal-insulator transition at 11.1 GPa, as predicted by theoretical estimation. Furthermore, two pressure-induced superconducting transitions were discovered under 20.2 and 47.3 GPa. The data-driven search is a promising approach to discovering new functional materials. (c) 2018 The Japan Society of Applied Physics