期刊
PHYSICAL REVIEW LETTERS
卷 106, 期 14, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.106.145501
关键词
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资金
- National Natural Science Foundation of China [10874054, 91022029, 11025418]
- China 973 Program [2011CB808200]
- COMPRES
- Consortium for Materials Properties Research in Earth Sciences under NSF [EAR 06-49658]
- SKLSHM [201006]
- Jilin University
Being a best known thermoelectric material and a topological insulator at ambient condition, magic bismuth telluride (Bi2Te3) under pressure transforms into several superconducting phases, whose structures remain unsolved for decades. Here, we have solved the two long-puzzling low high-pressure phases as seven-and eightfold monoclinic structures, respectively, through particle-swarm optimization technique on crystal structure prediction. Above 14.4 GPa, we experimentally discovered that Bi2Te3 unexpectedly develops into a Bi-Te substitutional alloy by adopting a body-centered cubic disordered structure stable at least up to 52.1 GPa. The continuously monoclinic distortion leads to the ultimate formation of the Bi-Te alloy, which is attributed to the Bi -> Te charge transfer under pressure. Our research provides a route to find alloys made of nonmetallic elements for a variety of applications.
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