Coexistence of multiple metastable polytypes in rhombohedral bismuth

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 c...

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Main Authors:	Shu, Yu, Hu, Wentao, Liu, Zhongyuan, Shen, Guoyin, Xu, Bo, Zhao, Zhisheng, He, Julong, Wang, Yanbin, Tian, Yongjun, Yu, Dongli
Format:	Online
Language:	English
Published:	Nature Publishing Group 2016
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4756663/

id	pubmed-4756663
recordtype	oai_dc
spelling	pubmed-47566632016-02-25 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 Article 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. Nature Publishing Group 2016-02-17 /pmc/articles/PMC4756663/ /pubmed/26883895 http://dx.doi.org/10.1038/srep20337 Text en Copyright © 2016, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
repository_type	Open Access Journal
institution_category	Foreign Institution
institution	US National Center for Biotechnology Information
building	NCBI PubMed
collection	Online Access
language	English
format	Online
author	Shu, Yu Hu, Wentao Liu, Zhongyuan Shen, Guoyin Xu, Bo Zhao, Zhisheng He, Julong Wang, Yanbin Tian, Yongjun Yu, Dongli
spellingShingle	Shu, Yu Hu, Wentao Liu, Zhongyuan Shen, Guoyin Xu, Bo Zhao, Zhisheng He, Julong Wang, Yanbin Tian, Yongjun Yu, Dongli Coexistence of multiple metastable polytypes in rhombohedral bismuth
author_facet	Shu, Yu Hu, Wentao Liu, Zhongyuan Shen, Guoyin Xu, Bo Zhao, Zhisheng He, Julong Wang, Yanbin Tian, Yongjun Yu, Dongli
author_sort	Shu, Yu
title	Coexistence of multiple metastable polytypes in rhombohedral bismuth
title_short	Coexistence of multiple metastable polytypes in rhombohedral bismuth
title_full	Coexistence of multiple metastable polytypes in rhombohedral bismuth
title_fullStr	Coexistence of multiple metastable polytypes in rhombohedral bismuth
title_full_unstemmed	Coexistence of multiple metastable polytypes in rhombohedral bismuth
title_sort	coexistence of multiple metastable polytypes in rhombohedral bismuth
description	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.
publisher	Nature Publishing Group
publishDate	2016
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4756663/
_version_	1613539760859512832

Coexistence of multiple metastable polytypes in rhombohedral bismuth

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