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:
-
- Oakland Univ., Rochester, MI (United States); Helmholtz-Zentrum Potsdam, Potsdam (Germany)
- 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}
}
Web of Science
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
Studies on new chemically deposited photoconducting antimony trisulphide thin films
journal, March 1992
- Savadogo, O.; Mandal, K. C.
- Solar Energy Materials and Solar Cells, Vol. 26, Issue 1-2
Preparation and characterization of spray deposited photoactive Sb2S3 and Sb2Se3 thin films using aqueous and non-aqueous media
journal, January 2002
- Rajpure, K. Y.; Bhosale, C. H.
- Materials Chemistry and Physics, Vol. 73, Issue 1
Refinement of the crystal structure of stibnite, Sb 2 S 3 1
journal, July 1972
- Bayliss, Peter; Nowacki, Werner
- Zeitschrift für Kristallographie, Vol. 135, Issue 3-4
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
The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications
journal, May 2014
- Carey, John J.; Allen, Jeremy P.; Scanlon, David O.
- Journal of Solid State Chemistry, Vol. 213
Sharp Raman Anomalies and Broken Adiabaticity at a Pressure Induced Transition from Band to Topological Insulator in
journal, March 2013
- Bera, Achintya; Pal, Koushik; Muthu, D. V. S.
- Physical Review Letters, Vol. 110, Issue 10
Anisotropic interactions and strain-induced topological phase transition in Sb Se and Bi Se
journal, December 2011
- Liu, Wenliang; Peng, Xiangyang; Tang, Chao
- Physical Review B, Vol. 84, Issue 24
Pressure-induced topological quantum phase transition in Sb Se
journal, January 2014
- Li, Wei; Wei, Xin-Yuan; Zhu, Jian-Xin
- Physical Review B, Vol. 89, Issue 3
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
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
Effects of uniaxial and hydrostatic pressure on the valence band maximum in : An electronic structure study
journal, November 2006
- Larson, P.
- Physical Review B, Vol. 74, Issue 20
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
Sb2Se3 under pressure
journal, September 2013
- Efthimiopoulos, Ilias; Zhang, Jiaming; Kucway, Melvin
- Scientific Reports, Vol. 3, Issue 1
Pressure-induced electronic topological transition in Sb 2 S 3
journal, December 2015
- Sorb, Y. A.; Rajaji, V.; Malavi, P. S.
- Journal of Physics: Condensed Matter, Vol. 28, Issue 1
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
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
Substitutional Alloy of Bi and Te at High Pressure
journal, April 2011
- Zhu, Li; Wang, Hui; Wang, Yanchao
- Physical Review Letters, Vol. 106, Issue 14
Structural phase transitions in Bi2Se3 under high pressure
journal, November 2015
- Yu, Zhenhai; Wang, Lin; Hu, Qingyang
- Scientific Reports, Vol. 5, Issue 1
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
Raman spectra of isolated and interconnected pyramidal XS3 groups (X = Sb,Bi) in stibnite, bismuthinite, kermesite, stephanite and bournonite [Raman spectra of isolated and interconnected pyramidal XS3 groups (X = Sb,Bi) in stibnite, bismuthinite, kermesite, stephanite and bournonite]
journal, April 2009
- Kharbish, Sherif; Libowitzky, Eugen; Beran, Anton
- European Journal of Mineralogy, Vol. 21, Issue 2
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
Effect of pressure on the Raman modes of antimony
journal, October 2006
- Wang, X.; Kunc, K.; Loa, I.
- Physical Review B, Vol. 74, Issue 13
High pressure raman spectra of crystalline sulfur
journal, April 1990
- Häfner, W.; Olijnyk, H.; Wokaun, A.
- High Pressure Research, Vol. 3, Issue 1-6
Phase transitions of sulfur at high pressure: Influence of temperature and pressure environment
journal, May 1993
- Rossmanith, P.; Hafner, W.; Wokaun, A.
- High Pressure Research, Vol. 11, Issue 4
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
Determinations of the high-pressure crystal structures of Sb 2 Te 3
journal, October 2012
- Ma, Yanmei; Liu, Guangtao; Zhu, Pinwen
- Journal of Physics: Condensed Matter, Vol. 24, Issue 47
Pressure-induced incommensurate-to-incommensurate phase transition in antimony
journal, November 2004
- Degtyareva, O.; McMahon, M. I.; Nelmes, R. J.
- Physical Review B, Vol. 70, Issue 18
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
Two-dimensional pressure-induced electronic topological transition in Bi Te
journal, March 2011
- Polian, Alain; Gauthier, Michel; Souza, Sergio Michielon
- Physical Review B, Vol. 83, Issue 11
Structural phase transition in Bi 2 Te 3 under high pressure
journal, May 2009
- Nakayama, A.; Einaga, M.; Tanabe, Y.
- High Pressure Research, Vol. 29, Issue 2
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
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
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
Pressure-Induced Unconventional Superconducting Phase in the Topological Insulator
journal, August 2013
- Kirshenbaum, Kevin; Syers, P. S.; Hope, A. P.
- Physical Review Letters, Vol. 111, Issue 8
Superconductivity of the topological insulator Bi 2 Se 3 at high pressure
journal, August 2013
- Kong, P. P.; Zhang, J. L.; Zhang, S. J.
- Journal of Physics: Condensed Matter, Vol. 25, Issue 36
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
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
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
Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s 2 inert pair electrons
journal, May 2002
- Kyono, A.; Kimata, M.; Matsuhisa, M.
- Physics and Chemistry of Minerals, Vol. 29, Issue 4
Structural transition and amorphization in compressed
journal, May 2015
- Zhao, Zhao; Zeng, Qiaoshi; Zhang, Haijun
- Physical Review B, Vol. 91, Issue 18
Pressure induced amorphization of materials
journal, January 1996
- Sharma, Surinder M.; Sikka, S. K.
- Progress in Materials Science, Vol. 40, Issue 1
Pressure-induced phase transition of Bi Te to a bcc structure
journal, March 2011
- Einaga, Mari; Ohmura, Ayako; Nakayama, Atsuko
- Physical Review B, Vol. 83, Issue 9
Structural and vibrational study of Bi Se under high pressure
journal, November 2011
- Vilaplana, Rosario; Santamaría-Pérez, D.; Gomis, O.
- Physical Review B, Vol. 84, Issue 18
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
High-pressure phase transitions, amorphization, and crystallization behaviors in Bi 2 Se 3
journal, February 2013
- Zhao, Jinggeng; Liu, Haozhe; Ehm, Lars
- Journal of Physics: Condensed Matter, Vol. 25, Issue 12
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
Laser-induced transformation of stibnite (Sb2S3) and other structurally related salts
journal, September 2013
- Makreski, Petre; Petruševski, Gjorgji; Ugarković, Sonja
- Vibrational Spectroscopy, Vol. 68
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
EXPGUI , a graphical user interface for GSAS
journal, April 2001
- Toby, Brian H.
- Journal of Applied Crystallography, Vol. 34, Issue 2
Finite Elastic Strain of Cubic Crystals
journal, June 1947
- Birch, Francis
- Physical Review, Vol. 71, Issue 11
The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source
journal, September 2008
- Rivers, Mark; Prakapenka, Vitali; Kubo, Atsushi
- High Pressure Research, Vol. 28, Issue 3
Pressure induced amorphization of materials
journal, January 1996
- Sharma, Surinder M.; Sikka, S. K.
- Progress in Materials Science, Vol. 40, Issue 1
Laser-induced transformation of stibnite (Sb2S3) and other structurally related salts
journal, September 2013
- Makreski, Petre; Petruševski, Gjorgji; Ugarković, Sonja
- Vibrational Spectroscopy, Vol. 68
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
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
Structural phase transitions in Bi2Se3 under high pressure
journal, November 2015
- Yu, Zhenhai; Wang, Lin; Hu, Qingyang
- Scientific Reports, Vol. 5, Issue 1
High pressure raman spectra of crystalline sulfur
journal, April 1990
- Häfner, W.; Olijnyk, H.; Wokaun, A.
- High Pressure Research, Vol. 3, Issue 1-6
X-ray-diffraction study of sulfur to 32 GPa: Amorphization at 25 GPa
journal, July 1993
- Luo, Huan; Ruoff, Arthur L.
- Physical Review B, Vol. 48, Issue 1
IVTON – a program for the calculation of geometrical aspects of crystal structures and some crystal chemical applications
journal, June 1996
- Balić Žunić, T.; Vicković, I.
- Journal of Applied Crystallography, Vol. 29, Issue 3
Refinement of the crystal structure of stibnite, Sb 2 S 3 1
journal, July 1972
- Bayliss, Peter; Nowacki, Werner
- Zeitschrift für Kristallographie, Vol. 135, Issue 3-4
Superconductivity in Strong Spin Orbital Coupling Compound Sb2Se3
text, January 2014
- Kong, P. P.; Sun, F.; Xing, L. Y.
- arXiv
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
- Liu, Yajie; Tai, Zhixin; Zhang, Jian
- Nature Communications, Vol. 9, Issue 1
Experimental Observation of the High Pressure Induced Substitutional Solid Solution and Phase Transformation in Sb2S3
journal, October 2018
- Wang, Yingying; Ma, Yanmei; Liu, Guangtao
- Scientific Reports, Vol. 8, Issue 1
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
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
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
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
Symmetry Breakdown in Franckeite: Spontaneous Strain, Rippling, and Interlayer Moiré
journal, January 2020
- Frisenda, Riccardo; Sanchez-Santolino, Gabriel; Papadopoulos, Nikos
- Nano Letters, Vol. 20, Issue 2
Boosting potassium-ion batteries by few-layered composite anodes prepared via solution-triggered one-step shear exfoliation
journal, September 2018
- Liu, Yajie; Tai, Zhixin; Zhang, Jian
- Nature Communications, Vol. 9, Issue 1
Experimental Observation of the High Pressure Induced Substitutional Solid Solution and Phase Transformation in Sb2S3
journal, October 2018
- Wang, Yingying; Ma, Yanmei; Liu, Guangtao
- Scientific Reports, Vol. 8, Issue 1