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Two Pressure-induced Superconducting Transitions in SnBi$_2$Se$_4$ Explored by Data-driven Materials Search: New Approach to Develop Novel Functional Materials Including Thermoelectric and Superconducting Materials
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abstract
Candidates for new thermoelectric and superconducting materials, which have narrow band gap and flat bands near band edges, were searched by the high-throughput first-principles calculation from an inorganic materials database. The synthesized SnBi$_2$Se$_4$ among the target compounds showed a narrow band gap of 354 meV, and a thermal conductivity of 1 W/Km at ambient pressure. The sample SnBi$_2$Se$_4$ showed a metal-insulator transition at 11.1 GPa, as predicted by a theoretical estimation. Furthermore, the two pressure-induced superconducting transitions were discovered at under 20.2 GPa and 47.3 GPa. The data-driven search is a promising approach to discover new functional materials.
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