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Title: Structural properties of Sb2S3 under pressure: Evidence of an electronic topological transition

Abstract

High-pressure Raman spectroscopy and x-ray diffraction of Sb2S3 up to 53 GPa reveals two phase transitions at 5 GPa and 15 GPa. The first transition is evidenced by noticeable compressibility changes in distinct Raman-active modes, in the lattice parameter axial ratios, the unit cell volume, as well as in specific interatomic bond lengths and bond angles. By taking into account relevant results from the literature, we assign these effects to a second-order isostructural transition arising from an electronic topological transition in Sb2S3 near 5 GPa. Close comparison between Sb2S3 and Sb2S3 up to 10 GPa reveals a slightly diverse structural behavior for these two compounds after the isostructural transition pressure. This structural diversity appears to account for the different pressure-induced electronic behavior of Sb2S3 and Sb2S3 up to 10 GPa, i.e. the absence of an insulator-metal transition in Sb2S3 up to that pressure. Lastly, the second high-pressure modification appearing above 15 GPa appears to trigger a structural disorder at ~20 GPa; full decompression from 53 GPa leads to the recovery of an amorphous state.

Authors:
 [1];  [2];  [2]
  1. Oakland Univ., Rochester, MI (United States); Helmholtz-Zentrum Potsdam, Potsdam (Germany)
  2. Oakland Univ., Rochester, MI (United States)
Publication Date:
Research Org.:
Carnegie Institute of Washington, Washington, DC (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1255814
Grant/Contract Number:  
FG02-99ER45775
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; structure of solids and liquids; topological insulators

Citation Formats

Efthimiopoulos, Ilias, Buchan, Cienna, and Wang, Yuejian. Structural properties of Sb2S3 under pressure: Evidence of an electronic topological transition. United States: N. p., 2016. Web. doi:10.1038/srep24246.
Efthimiopoulos, Ilias, Buchan, Cienna, & Wang, Yuejian. Structural properties of Sb2S3 under pressure: Evidence of an electronic topological transition. United States. https://doi.org/10.1038/srep24246
Efthimiopoulos, Ilias, Buchan, Cienna, and Wang, Yuejian. Wed . "Structural properties of Sb2S3 under pressure: Evidence of an electronic topological transition". United States. https://doi.org/10.1038/srep24246. https://www.osti.gov/servlets/purl/1255814.
@article{osti_1255814,
title = {Structural properties of Sb2S3 under pressure: Evidence of an electronic topological transition},
author = {Efthimiopoulos, Ilias and Buchan, Cienna and Wang, Yuejian},
abstractNote = {High-pressure Raman spectroscopy and x-ray diffraction of Sb2S3 up to 53 GPa reveals two phase transitions at 5 GPa and 15 GPa. The first transition is evidenced by noticeable compressibility changes in distinct Raman-active modes, in the lattice parameter axial ratios, the unit cell volume, as well as in specific interatomic bond lengths and bond angles. By taking into account relevant results from the literature, we assign these effects to a second-order isostructural transition arising from an electronic topological transition in Sb2S3 near 5 GPa. Close comparison between Sb2S3 and Sb2S3 up to 10 GPa reveals a slightly diverse structural behavior for these two compounds after the isostructural transition pressure. This structural diversity appears to account for the different pressure-induced electronic behavior of Sb2S3 and Sb2S3 up to 10 GPa, i.e. the absence of an insulator-metal transition in Sb2S3 up to that pressure. Lastly, the second high-pressure modification appearing above 15 GPa appears to trigger a structural disorder at ~20 GPa; full decompression from 53 GPa leads to the recovery of an amorphous state.},
doi = {10.1038/srep24246},
journal = {Scientific Reports},
number = ,
volume = 6,
place = {United States},
year = {Wed Apr 06 00:00:00 EDT 2016},
month = {Wed Apr 06 00:00:00 EDT 2016}
}

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Works referenced in this record:

Optical Properties of As_2Se_3, (AsxSb_1−x)_2Se_3, and SbxS_3*
journal, January 1968

  • Efstathiou, A.; Levin, E. R.
  • Journal of the Optical Society of America, Vol. 58, Issue 3
  • DOI: 10.1364/JOSA.58.000373

Studies on new chemically deposited photoconducting antimony trisulphide thin films
journal, March 1992


Preparation and characterization of spray deposited photoactive Sb2S3 and Sb2Se3 thin films using aqueous and non-aqueous media
journal, January 2002


Refinement of the crystal structure of stibnite, Sb 2 S 3 1
journal, July 1972


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

The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications
journal, May 2014


Sharp Raman Anomalies and Broken Adiabaticity at a Pressure Induced Transition from Band to Topological Insulator in Sb 2 Se 3
journal, March 2013


Anisotropic interactions and strain-induced topological phase transition in Sb 2 Se 3 and Bi 2 Se 3
journal, December 2011


Pressure-induced topological quantum phase transition in Sb 2 Se 3
journal, January 2014


High-pressure studies of topological insulators Bi 2 Se 3 , Bi 2 Te 3 , and Sb 2 Te 3
journal, April 2013

  • Manjón, F. J.; Vilaplana, R.; Gomis, O.
  • physica status solidi (b), Vol. 250, Issue 4
  • DOI: 10.1002/pssb.201200672

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

Ab initio calculations of elastic properties of Ru1−xNixAl superalloys
journal, April 2009

  • Bleskov, I. D.; Smirnova, E. A.; Vekilov, Yu. Kh.
  • Applied Physics Letters, Vol. 94, Issue 16
  • DOI: 10.1063/1.3120543

Sb2Se3 under pressure
journal, September 2013

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

Pressure-induced electronic topological transition in Sb 2 S 3
journal, December 2015


Equation of state and crystal structure of Sb 2 S 3 between 0 and 10 GPa
journal, September 2003

  • Lundegaard, L. F.; Miletich, R.; Balic-Zunic, T.
  • Physics and Chemistry of Minerals, Vol. 30, Issue 8
  • DOI: 10.1007/s00269-003-0339-x

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

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


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

First-principles study of the lattice dynamics of Sb 2 S 3
journal, January 2014

  • Liu, Yun; Eddie Chua, Kun Ting; Sum, Tze Chien
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 1
  • DOI: 10.1039/C3CP53879F

Polarization-Dependent Raman Characterization of Stibnite (Sb[sub 2]S[sub 3])
conference, January 2010

  • Sereni, Paolo; Musso, Maurizio; Knoll, Peter
  • XXII INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY, AIP Conference Proceedings
  • DOI: 10.1063/1.3482339

Effect of pressure on the Raman modes of antimony
journal, October 2006


High pressure raman spectra of crystalline sulfur
journal, April 1990


Phase transitions of sulfur at high pressure: Influence of temperature and pressure environment
journal, May 1993


Vibrational dynamics and stability of the high-pressure chain and ring phases in S and Se
journal, February 2007

  • Degtyareva, Olga; Hernández, Eduardo R.; Serrano, Jorge
  • The Journal of Chemical Physics, Vol. 126, Issue 8
  • DOI: 10.1063/1.2433944

Determinations of the high-pressure crystal structures of Sb 2 Te 3
journal, October 2012


Pressure-induced incommensurate-to-incommensurate phase transition in antimony
journal, November 2004


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

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


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


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

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

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

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


Superconductivity of the topological insulator Bi 2 Se 3 at high pressure
journal, August 2013


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

G W quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite
journal, May 2013

  • Filip, Marina R.; Patrick, Christopher E.; Giustino, Feliciano
  • Physical Review B, Vol. 87, Issue 20
  • DOI: 10.1103/PhysRevB.87.205125

Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
journal, November 2005

  • Lundegaard, L. F.; Makovicky, E.; Boffa-Ballaran, T.
  • Physics and Chemistry of Minerals, Vol. 32, Issue 8-9
  • DOI: 10.1007/s00269-005-0033-2

Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s 2 inert pair electrons
journal, May 2002


Structural transition and amorphization in compressed α Sb 2 O 3
journal, May 2015


Pressure induced amorphization of materials
journal, January 1996


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


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


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

High-pressure phase transitions, amorphization, and crystallization behaviors in Bi 2 Se 3
journal, February 2013


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

Laser-induced transformation of stibnite (Sb2S3) and other structurally related salts
journal, September 2013


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

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


Finite Elastic Strain of Cubic Crystals
journal, June 1947


The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source
journal, September 2008


Pressure induced amorphization of materials
journal, January 1996


Laser-induced transformation of stibnite (Sb2S3) and other structurally related salts
journal, September 2013


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

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

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

High pressure raman spectra of crystalline sulfur
journal, April 1990


X-ray-diffraction study of sulfur to 32 GPa: Amorphization at 25 GPa
journal, July 1993


IVTON – a program for the calculation of geometrical aspects of crystal structures and some crystal chemical applications
journal, June 1996


Refinement of the crystal structure of stibnite, Sb 2 S 3 1
journal, July 1972


Superconductivity in Strong Spin Orbital Coupling Compound Sb2Se3
text, January 2014


Works referencing / citing this record:

Boosting potassium-ion batteries by few-layered composite anodes prepared via solution-triggered one-step shear exfoliation
journal, September 2018


Experimental Observation of the High Pressure Induced Substitutional Solid Solution and Phase Transformation in Sb2S3
journal, October 2018


Copper antimony sulfide thin films for visible to near infrared photodetector applications
journal, January 2018

  • Vinayakumar, V.; Shaji, S.; Avellaneda, D.
  • RSC Advances, Vol. 8, Issue 54
  • DOI: 10.1039/c8ra05662e

Orpiment under compression: metavalent bonding at high pressure
journal, January 2020

  • Cuenca-Gotor, Vanesa Paula; Sans, Juan Ángel; Gomis, Oscar
  • Physical Chemistry Chemical Physics, Vol. 22, Issue 6
  • DOI: 10.1039/c9cp06298j

Structural, vibrational, and electronic topological transitions of Bi 1.5 Sb 0.5 Te 1.8 Se 1.2 under pressure
journal, March 2018

  • Kim, Joon-Seok; Juneja, Rinkle; Salke, Nilesh P.
  • Journal of Applied Physics, Vol. 123, Issue 11
  • DOI: 10.1063/1.5018857

Structural, morphological and vibrational properties of Bi substituted Sb 2 S 3 nanoparticles
journal, August 2018

  • Chauhan, Krishna; Deshpande, M. P.; Patel, Kiran N.
  • Materials Research Express, Vol. 5, Issue 10
  • DOI: 10.1088/2053-1591/aadab2

Symmetry Breakdown in Franckeite: Spontaneous Strain, Rippling, and Interlayer Moiré
journal, January 2020


Boosting potassium-ion batteries by few-layered composite anodes prepared via solution-triggered one-step shear exfoliation
journal, September 2018


Experimental Observation of the High Pressure Induced Substitutional Solid Solution and Phase Transformation in Sb2S3
journal, October 2018