Structural phase transitions in Bi2Se3 under high pressure

Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi2Se3) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occur...

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Main Authors:	Yu, Zhenhai, Wang, Lin, Hu, Qingyang, Zhao, Jinggeng, Yan, Shuai, Yang, Ke, Sinogeikin, Stanislav, Gu, Genda, Mao, Ho-kwang
Format:	Online
Language:	English
Published:	Nature Publishing Group 2015
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4629115/

id	pubmed-4629115
recordtype	oai_dc
spelling	pubmed-46291152015-11-05 Structural phase transitions in Bi2Se3 under high pressure Yu, Zhenhai Wang, Lin Hu, Qingyang Zhao, Jinggeng Yan, Shuai Yang, Ke Sinogeikin, Stanislav Gu, Genda Mao, Ho-kwang Article Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi2Se3) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occurs from an ambient rhombohedra phase (Space group (SG): R-3m) to monoclinic phase (SG: C2/m) and eventually to a high pressure body-centered tetragonal phase (SG: I4/mmm). Evidenced by our XRD data up to 81.2 GPa, the Bi2Se3 crystallizes into body-centered tetragonal structures rather than the recently reported disordered body-centered cubic (BCC) phase. Furthermore, first principles theoretical calculations favor the viewpoint that the I4/mmm phase Bi2Se3 can be stabilized under high pressure (>30 GPa). Remarkably, the Raman spectra of Bi2Se3 from this work (two independent runs) are still Raman active up to ~35 GPa. It is worthy to note that the disordered BCC phase at 27.8 GPa is not observed here. The remarkable difference in atomic radii of Bi and Se in Bi2Se3 may explain why Bi2Se3 shows different structural behavior than isocompounds Bi2Te3 and Sb2Te3. Nature Publishing Group 2015-11-02 /pmc/articles/PMC4629115/ /pubmed/26522818 http://dx.doi.org/10.1038/srep15939 Text en Copyright © 2015, 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	Yu, Zhenhai Wang, Lin Hu, Qingyang Zhao, Jinggeng Yan, Shuai Yang, Ke Sinogeikin, Stanislav Gu, Genda Mao, Ho-kwang
spellingShingle	Yu, Zhenhai Wang, Lin Hu, Qingyang Zhao, Jinggeng Yan, Shuai Yang, Ke Sinogeikin, Stanislav Gu, Genda Mao, Ho-kwang Structural phase transitions in Bi2Se3 under high pressure
author_facet	Yu, Zhenhai Wang, Lin Hu, Qingyang Zhao, Jinggeng Yan, Shuai Yang, Ke Sinogeikin, Stanislav Gu, Genda Mao, Ho-kwang
author_sort	Yu, Zhenhai
title	Structural phase transitions in Bi2Se3 under high pressure
title_short	Structural phase transitions in Bi2Se3 under high pressure
title_full	Structural phase transitions in Bi2Se3 under high pressure
title_fullStr	Structural phase transitions in Bi2Se3 under high pressure
title_full_unstemmed	Structural phase transitions in Bi2Se3 under high pressure
title_sort	structural phase transitions in bi2se3 under high pressure
description	Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi2Se3) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occurs from an ambient rhombohedra phase (Space group (SG): R-3m) to monoclinic phase (SG: C2/m) and eventually to a high pressure body-centered tetragonal phase (SG: I4/mmm). Evidenced by our XRD data up to 81.2 GPa, the Bi2Se3 crystallizes into body-centered tetragonal structures rather than the recently reported disordered body-centered cubic (BCC) phase. Furthermore, first principles theoretical calculations favor the viewpoint that the I4/mmm phase Bi2Se3 can be stabilized under high pressure (>30 GPa). Remarkably, the Raman spectra of Bi2Se3 from this work (two independent runs) are still Raman active up to ~35 GPa. It is worthy to note that the disordered BCC phase at 27.8 GPa is not observed here. The remarkable difference in atomic radii of Bi and Se in Bi2Se3 may explain why Bi2Se3 shows different structural behavior than isocompounds Bi2Te3 and Sb2Te3.
publisher	Nature Publishing Group
publishDate	2015
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4629115/
_version_	1613495959350673408

Structural phase transitions in Bi2Se3 under high pressure

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