Coexistence of multiple metastable polytypes in rhombohedral bismuth

Shu, Yu; Hu, Wentao; Liu, Zhongyuan; Shen, Guoyin; Xu, Bo; Zhao, Zhisheng; He, Julong; Wang, Yanbin; Tian, Yongjun; Yu, Dongli

doi:10.1038/srep20337

Title: Coexistence of multiple metastable polytypes in rhombohedral bismuth

Journal Article · Wed Feb 17 00:00:00 EST 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep20337· OSTI ID:1249226

Shu, Yu ^[1]; Hu, Wentao ^[1]; Liu, Zhongyuan ^[1]; Shen, Guoyin ^[2]; Xu, Bo ^[1]; Zhao, Zhisheng ^[1]; He, Julong ^[1]; Wang, Yanbin ^[3]; Tian, Yongjun ^[1]; Yu, Dongli ^[1]

Yanshan Univ., Hebei (China)
Carnegie Inst. of Washington, Argonne, IL (United States)
Univ. of Chicago, Argonne, IL (United States)

Derivative structural polytypes coexisting with the rhombohedral A7 structure of elemental bismuth (Bi) have been discovered at ambient condition, based on microstructure analyses of pure Bi samples treated under high pressure and high temperature conditions. Three structures with atomic positions close to those of the A7 structure have been identified through first-principles calculations, showing these polytypes energetically comparable to the A7 structure under ambient condition. Simulated diffraction data are in excellent agreement with the experimental observations. We argue that previously reported some variations of physical properties (e.g., density, electrical conductivity and magnetism) in bismuth could be due to the formation of these polytypes. The coexistence of metastable derivative structural polytypes may be a widely occurring phenomenon in other elemental materials.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); Ministry of Science and Technology of China; National Science Foundation (NSF)

Grant/Contract Number:: 51121061; EAR-0968456; 2011CB808205; 2010CB731605; 51332005; 51172197; 11025418; 91022029

OSTI ID:: 1249226

Journal Information:: Scientific Reports, Vol. 6, Issue 1; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 11 works

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