期刊
APPLIED PHYSICS EXPRESS
卷 11, 期 9, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.7567/APEX.11.093101
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资金
- JST CREST, Japan, JST-Mirai Program [JPMJMI17A2]
- JSPS KAKENHI [JP17J05926]
- Materials Research by Information Integration Initiative (MI2I) project of the Support Program for Starting Up Innovation Hub from JST
- NIMS Nanofabrication Platform in the Nanotechnology Platform Project - Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan
- Geodynamics Research Center, Ehime University
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
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