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Title: Structural phase transitions of (Bi1$$-$$xSbx )2(Te1$$-$$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites

Abstract

Recently, A2B3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi2Te2Se, BiSbTeSe2, and Sb2Te2Se tetradymites under high pressure. Bi2Te2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi2Te3. Thus, the compression behavior of Bi2Te2Se is the same as that of Bi2Se3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe2 and Sb2Te2Se undergo similar structural phase transitions to Bi2Te2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A2B3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phasemore » II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.« less

Authors:
 [1];  [2];  [3];  [4];  [5];  [2];  [5];  [1];  [6];  [5]
  1. Harbin Inst. of Technology (China). Dept. of Physics and Natural Science Research Center, Academy of Fundamental and Interdisciplinary Sciences
  2. Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
  3. Center for High Pressure Science and Technology Advanced Research, Shanghai (China) ; Stanford Univ., CA (United States). Department of Geological Sciences
  4. Harbin Inst. of Technology (China). Department of Physics
  5. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  6. Harbin Inst. of Technology (China). Dept. of Physics
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1372436
Alternate Identifier(s):
OSTI ID: 1347285
Report Number(s):
BNL-113914-2017-JA; BNL-113395-2016-JA
Journal ID: ISSN 1463-9076; PPCPFQ; R&D Project: PO010; KC0201060
Grant/Contract Number:  
SC0012704; AC02-98CH10886
Resource Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP
Additional Journal Information:
Journal Volume: 19; Journal Issue: 3; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Zhao, Jinggeng, Yu, Zhenhai, Hu, Qingyang, Wang, Yong, Schneeloch, John, Li, Chunyu, Zhong, Ruidan, Wang, Yi, Liu, Zhiguo, and Gu, Genda. Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites. United States: N. p., 2016. Web. doi:10.1039/c6cp07324g.
Zhao, Jinggeng, Yu, Zhenhai, Hu, Qingyang, Wang, Yong, Schneeloch, John, Li, Chunyu, Zhong, Ruidan, Wang, Yi, Liu, Zhiguo, & Gu, Genda. Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites. United States. https://doi.org/10.1039/c6cp07324g
Zhao, Jinggeng, Yu, Zhenhai, Hu, Qingyang, Wang, Yong, Schneeloch, John, Li, Chunyu, Zhong, Ruidan, Wang, Yi, Liu, Zhiguo, and Gu, Genda. Wed . "Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites". United States. https://doi.org/10.1039/c6cp07324g. https://www.osti.gov/servlets/purl/1372436.
@article{osti_1372436,
title = {Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites},
author = {Zhao, Jinggeng and Yu, Zhenhai and Hu, Qingyang and Wang, Yong and Schneeloch, John and Li, Chunyu and Zhong, Ruidan and Wang, Yi and Liu, Zhiguo and Gu, Genda},
abstractNote = {Recently, A2B3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi2Te2Se, BiSbTeSe2, and Sb2Te2Se tetradymites under high pressure. Bi2Te2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi2Te3. Thus, the compression behavior of Bi2Te2Se is the same as that of Bi2Se3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe2 and Sb2Te2Se undergo similar structural phase transitions to Bi2Te2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A2B3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.},
doi = {10.1039/c6cp07324g},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 3,
volume = 19,
place = {United States},
year = {Wed Dec 14 00:00:00 EST 2016},
month = {Wed Dec 14 00:00:00 EST 2016}
}

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Works referenced in this record:

Semiconductor-to-metal transition of Bi 2 Se 3 under high pressure
journal, August 2014

  • Zhang, Junkai; Han, Yonghao; Liu, Cailong
  • Applied Physics Letters, Vol. 105, Issue 6
  • DOI: 10.1063/1.4892661

Structural and vibrational study of Bi 2 Se 3 under high pressure
journal, November 2011


Pressure-Induced Disordered Substitution Alloy in Sb 2 Te 3
journal, November 2011

  • Zhao, Jinggeng; Liu, Haozhe; Ehm, Lars
  • Inorganic Chemistry, Vol. 50, Issue 22
  • DOI: 10.1021/ic201731k

Defects and high bulk resistivities in the Bi-rich tetradymite topological insulator Bi 2 + x Te 2 x Se
journal, October 2012


Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3
journal, June 2009


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Finite Elastic Strain of Cubic Crystals
journal, June 1947


Stabilization of 9/10-Fold Structure in Bismuth Selenide at High Pressures
journal, May 2013

  • Liu, Guangtao; Zhu, Li; Ma, Yanmei
  • The Journal of Physical Chemistry C, Vol. 117, Issue 19
  • DOI: 10.1021/jp402697t

Optical properties of Bi 2 Te 2 Se at ambient and high pressures
journal, December 2012


Structural phase transition in Bi 2 Te 3 under high pressure
journal, May 2009


High-pressure vibrational and optical study of Bi 2 Te 3
journal, September 2011


Structural Phase Transitions and Metallized Phenomena in Arsenic Telluride under High Pressure
journal, April 2016


Ultraviolet and visible range plasmonics in the topological insulator Bi1.5Sb0.5Te1.8Se1.2
journal, October 2014

  • Ou, Jun-Yu; So, Jin-Kyu; Adamo, Giorgio
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6139

Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions
journal, January 1986

  • Mao, H. K.; Xu, J.; Bell, P. M.
  • Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676
  • DOI: 10.1029/JB091iB05p04673

Phase-Transition Induced Elastic Softening and Band Gap Transition in Semiconducting PbS at High Pressure
journal, July 2013

  • Wang, Shanmin; Zhang, Jianzhong; Zhang, Yi
  • Inorganic Chemistry, Vol. 52, Issue 15
  • DOI: 10.1021/ic400801s

The comprehensive phase evolution for Bi 2 Te 3 topological compound as function of pressure
journal, June 2012

  • Zhang, S. J.; Zhang, J. L.; Yu, X. H.
  • Journal of Applied Physics, Vol. 111, Issue 11
  • DOI: 10.1063/1.4726258

The crystal structure of antimony selenide, Sb2Se3
journal, February 1957


Line profiles of neutron powder-diffraction peaks for structure refinement
journal, January 1967


Electronic topological transition and semiconductor-to-metal conversion of Bi 2 Te 3 under high pressure
journal, July 2013

  • Zhang, Junkai; Liu, Cailong; Zhang, Xin
  • Applied Physics Letters, Vol. 103, Issue 5
  • DOI: 10.1063/1.4816758

Syste`me AsGeTe
journal, June 1988


Pressure-induced phase transition of Bi 2 Te 3 to a bcc structure
journal, March 2011


The crystal structure of getchellite, AsSbS3
journal, November 1973

  • Guillermo, T. R.; Wuensch, B. J.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 29, Issue 11
  • DOI: 10.1107/S0567740873006965

Superconductivity in Topological Insulator Sb2Te3 Induced by Pressure
journal, June 2013

  • Zhu, J.; Zhang, J. L.; Kong, P. P.
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02016

High pressure transport characteristics of Bi2Te3, Sb2Te3, and BiSbTe3
journal, September 2012

  • Jacobsen, M. K.; Sinogeikin, S. V.; Kumar, R. S.
  • Journal of Physics and Chemistry of Solids, Vol. 73, Issue 9
  • DOI: 10.1016/j.jpcs.2012.05.001

EXPGUI , a graphical user interface for GSAS
journal, April 2001


High pressure monoclinic phases of Sb2Te3
journal, September 2012


Pressure-induced anomalies in structure, charge density and transport properties of Bi 2 Te 3 : A first principles study
journal, March 2016


Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
journal, March 2013


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

The crystal structure of Bi2Te3−xSex
journal, March 1963


High-Pressure Studies of Bi 2 S 3
journal, February 2014

  • Efthimiopoulos, Ilias; Kemichick, Jason; Zhou, X.
  • The Journal of Physical Chemistry A, Vol. 118, Issue 9
  • DOI: 10.1021/jp4124666

Atomic Radii in Crystals
journal, November 1964

  • Slater, J. C.
  • The Journal of Chemical Physics, Vol. 41, Issue 10
  • DOI: 10.1063/1.1725697

Large Improvement in Thermoelectric Properties in Pressure-Tuned p-Type Sb 1.5 Bi 0.5 Te 3
journal, June 2001

  • Polvani, D. A.; Meng, J. F.; Chandra Shekar, N. V.
  • Chemistry of Materials, Vol. 13, Issue 6
  • DOI: 10.1021/cm000888q

Hydrostaticity of Pressure Media in Diamond Anvil Cells
journal, September 2009


Characteristics of silicone fluid as a pressure transmitting medium in diamond anvil cells
journal, November 2004

  • Shen, Yongrong; Kumar, Ravhi S.; Pravica, Michael
  • Review of Scientific Instruments, Vol. 75, Issue 11
  • DOI: 10.1063/1.1786355

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
journal, May 2009

  • Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang
  • Nature Physics, Vol. 5, Issue 6, p. 438-442
  • DOI: 10.1038/nphys1270

Pressure-Induced Unconventional Superconducting Phase in the Topological Insulator Bi 2 Se 3
journal, August 2013


High-pressure phase transitions in ordered and disordered Bi 2 Te 2 Se
journal, January 2015

  • Nielsen, M. B.; Parisiades, P.; Madsen, S. R.
  • Dalton Transactions, Vol. 44, Issue 31
  • DOI: 10.1039/C5DT02022K

Large bulk resistivity and surface quantum oscillations in the topological insulator Bi 2 Te 2 Se
journal, December 2010


Hydrostatic limits of 11 pressure transmitting media
journal, March 2009

  • Klotz, S.; Chervin, J-C.; Munsch, P.
  • Journal of Physics D: Applied Physics, Vol. 42, Issue 7, Article No. 075413
  • DOI: 10.1088/0022-3727/42/7/075413

Pressure-induced superconductivity in topological parent compound Bi 2 Te 3
journal, December 2010

  • Zhang, J. L.; Zhang, S. J.; Weng, H. M.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 1
  • DOI: 10.1073/pnas.1014085108

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992


Refinement of the Sb 2 Te 3 and Sb 2 Te 2 Se structures and their relationship to nonstoichiometric Sb 2 Te 3− y Se y compounds
journal, May 1974

  • Anderson, T. L.; Krause, H. B.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 30, Issue 5
  • DOI: 10.1107/S0567740874004729

Substitutional Alloy of Bi and Te at High Pressure
journal, April 2011


Lattice dynamics of Sb 2 Te 3 at high pressures
journal, November 2011


Sb2Se3 under pressure
journal, September 2013

  • Efthimiopoulos, Ilias; Zhang, Jiaming; Kucway, Melvin
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02665

Crystal structure and transporting properties of Bi2S3 under high pressure: Experimental and theoretical studies
journal, December 2016


Crystal structure and chemistry of topological insulators
journal, January 2013

  • Cava, R. J.; Ji, Huiwen; Fuccillo, M. K.
  • Journal of Materials Chemistry C, Vol. 1, Issue 19
  • DOI: 10.1039/c3tc30186a

Pressure-induced reemergence of superconductivity in topological insulator Sr 0.065 Bi 2 Se 3
journal, April 2016


Phase transitions and equations of state of alkaline earth fluorides CaF 2 , SrF 2 , and BaF 2 to Mbar pressures
journal, May 2010


Phase diagram of a pressure-induced superconducting state and its relation to the Hall coefficient of Bi 2 Te 3 single crystals
journal, April 2011


Enhanced power factor and high-pressure effects in (Bi,Sb) 2 (Te,Se) 3 thermoelectrics
journal, April 2015

  • Ovsyannikov, Sergey V.; Morozova, Natalia V.; Korobeinikov, Igor V.
  • Applied Physics Letters, Vol. 106, Issue 14
  • DOI: 10.1063/1.4916947

A profile refinement method for nuclear and magnetic structures
journal, June 1969


Atomic ordering in cubic bismuth telluride alloy phases at high pressure
journal, June 2016


Bi 2 Te 3−x Se x series studied by resistivity and thermopower
journal, September 2014


Ab initio investigation of B16(GeS), B27(FeB) and B33(CrB/TlI) phases of lead chalcogenides
journal, June 2013


Synthesis of Fine-Powder Polycrystalline Bi−Se−Te, Bi−Sb−Te, and Bi−Sb−Se−Te Alloys
journal, January 1997

  • Ritter, Joseph J.; Maruthamuthu, Pichai
  • Inorganic Chemistry, Vol. 36, Issue 2
  • DOI: 10.1021/ic960616i

Superconductivity in Strong Spin Orbital Coupling Compound Sb2Se3
journal, October 2014

  • Kong, P. P.; Sun, F.; Xing, L. Y.
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep06679

The crystal structure and powder data for arsenic telluride
journal, May 1963


Structural Stabilities and Elastic Constants of EuX (X = O, S, Se, and Te) Compounds at High Pressure
journal, April 2013


Bi 2 Te 1.6 S 1.4 : A topological insulator in the tetradymite family
journal, May 2012


Structural properties of Sb2S3 under pressure: evidence of an electronic topological transition
journal, April 2016

  • Efthimiopoulos, Ilias; Buchan, Cienna; Wang, Yuejian
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep24246

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

  • Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
  • High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
  • DOI: 10.1080/08957959608201408

Phenomenological theory of the reconstructive phase transition between the NaCl and CsCl structure types
journal, April 2003


Two-dimensional pressure-induced electronic topological transition in Bi 2 Te 3
journal, March 2011


Pressure-induced phase transition in Sb2Te3
journal, December 1981


Structural phase transitions in Bi2Se3 under high pressure
journal, November 2015

  • Yu, Zhenhai; Wang, Lin; Hu, Qingyang
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep15939

Works referencing / citing this record:

Independence of topological surface state and bulk conductance in three-dimensional topological insulators
journal, November 2018


Topological insulators for the generation of electron beams
journal, December 2018

  • Tian, Y.; Gu, G.; Johnson, P.
  • Applied Physics Letters, Vol. 113, Issue 23
  • DOI: 10.1063/1.5052415

Strategies and challenges of high-pressure methods applied to thermoelectric materials
journal, June 2019

  • Morozova, Natalia V.; Korobeinikov, Igor V.; Ovsyannikov, Sergey V.
  • Journal of Applied Physics, Vol. 125, Issue 22
  • DOI: 10.1063/1.5094166