Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds
Abstract
We have investigated the structural behavior of CuSbS2 and CuSbSe2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive x-ray diffraction in a diamond anvil cell (DAC). We have also performed high-pressure Raman spectroscopy measurements up to 15 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS2 and CuSbSe2, respectively. High pressure Raman experiments complement the transitions observed by high-pressure x-ray diffraction (HPXRD). The transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.
- Authors:
-
- Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy and High Pressure Science and Engineering Center (HiPSEC)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of Nevada, Las Vegas, NV (United States)
- Publication Date:
- Research Org.:
- Univ. of Nevada, Las Vegas, NV (United States); Carnegie Inst. of Science, Washington, DC (United States). Geophysical Lab.
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Legacy Management (LM), Office of Field Operations
- OSTI Identifier:
- 1332338
- Alternate Identifier(s):
- OSTI ID: 1254361; OSTI ID: 1338323
- Grant/Contract Number:
- NA0001982; NA0001974; FG02-99ER45775; AC02-06CH11357; NA0002006
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Alloys and Compounds
- Additional Journal Information:
- Journal Volume: 643; Journal Issue: C; Journal ID: ISSN 0925-8388
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; thermoelectrics; structural phase transition; high pressure powder diffraction; Thermoelectrics, Structural phase transition, High-pressure powder diffraction
Citation Formats
Baker, Jason, Kumar, Ravhi S., Sneed, Daniel, Connolly, Anthony, Zhang, Yi, Velisavljevic, Nenad, Paladugu, Jayalakshmi, Pravica, Michael, Chen, Changfeng, Cornelius, Andrew, and Zhao, Yusheng. Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds. United States: N. p., 2015.
Web. doi:10.1016/j.jallcom.2015.04.138.
Baker, Jason, Kumar, Ravhi S., Sneed, Daniel, Connolly, Anthony, Zhang, Yi, Velisavljevic, Nenad, Paladugu, Jayalakshmi, Pravica, Michael, Chen, Changfeng, Cornelius, Andrew, & Zhao, Yusheng. Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds. United States. https://doi.org/10.1016/j.jallcom.2015.04.138
Baker, Jason, Kumar, Ravhi S., Sneed, Daniel, Connolly, Anthony, Zhang, Yi, Velisavljevic, Nenad, Paladugu, Jayalakshmi, Pravica, Michael, Chen, Changfeng, Cornelius, Andrew, and Zhao, Yusheng. Mon .
"Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds". United States. https://doi.org/10.1016/j.jallcom.2015.04.138. https://www.osti.gov/servlets/purl/1332338.
@article{osti_1332338,
title = {Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds},
author = {Baker, Jason and Kumar, Ravhi S. and Sneed, Daniel and Connolly, Anthony and Zhang, Yi and Velisavljevic, Nenad and Paladugu, Jayalakshmi and Pravica, Michael and Chen, Changfeng and Cornelius, Andrew and Zhao, Yusheng},
abstractNote = {We have investigated the structural behavior of CuSbS2 and CuSbSe2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive x-ray diffraction in a diamond anvil cell (DAC). We have also performed high-pressure Raman spectroscopy measurements up to 15 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS2 and CuSbSe2, respectively. High pressure Raman experiments complement the transitions observed by high-pressure x-ray diffraction (HPXRD). The transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.},
doi = {10.1016/j.jallcom.2015.04.138},
journal = {Journal of Alloys and Compounds},
number = C,
volume = 643,
place = {United States},
year = {Mon Apr 27 00:00:00 EDT 2015},
month = {Mon Apr 27 00:00:00 EDT 2015}
}
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Works referenced in this record:
Growth and characterization of CuSbS2 crystals
journal, March 1980
- Wachtel, A.; Noreika, A.
- Journal of Electronic Materials, Vol. 9, Issue 2
Thermoelectric properties of chalcopyrite type CuGaTe 2 and chalcostibite CuSbS 2
journal, December 2013
- Kumar Gudelli, Vijay; Kanchana, V.; Vaitheeswaran, G.
- Journal of Applied Physics, Vol. 114, Issue 22
First-principles study of electronic structure of CuSbS 2 and CuSbSe 2 photovoltaic semiconductors
journal, May 2015
- Maeda, T.; Wada, T.
- Thin Solid Films, Vol. 582
High pressure structural and transport measurements of InTe, GaTe, and InGaTe2
journal, May 2013
- Jacobsen, M. K.; Meng, Y.; Kumar, R. S.
- Journal of Physics and Chemistry of Solids, Vol. 74, Issue 5
Thermoelectric properties of Ni-doped CuInTe2
journal, August 2015
- Kucek, V.; Drasar, C.; Navratil, J.
- Journal of Physics and Chemistry of Solids, Vol. 83
Pressure induced structural phase transition in
journal, August 2005
- Kumar, Ravhi S.; Cornelius, Andrew L.; Kim, Eunja
- Physical Review B, Vol. 72, Issue 6
Pressure dependence of the Raman modes and pressure-induced phase changes in CuGa and AgGa
journal, October 1980
- Carlone, C.; Olego, D.; Jayaraman, A.
- Physical Review B, Vol. 22, Issue 8
Pressure-induced phase transformations in the chalcopyrite-structure compounds: CuGa and AgGa
journal, April 1981
- Werner, A.; Hochheimer, H. D.; Jayaraman, A.
- Physical Review B, Vol. 23, Issue 8
Structural phase transitions and optical absorption of under pressure
journal, April 1991
- Beister, H. J.; Ves, S.; Hönle, W.
- Physical Review B, Vol. 43, Issue 12
The thermal conductivity of silver antimony telluride
journal, August 1959
- Hockings, E. F.
- Journal of Physics and Chemistry of Solids, Vol. 10, Issue 4
Intrinsically Minimal Thermal Conductivity in Cubic Semiconductors
journal, July 2008
- Morelli, D. T.; Jovovic, V.; Heremans, J. P.
- Physical Review Letters, Vol. 101, Issue 3, Article No. 035901
NQR study of ternary chalcogenides A3BX3, ABX2, and ABX where A = Cu, Ag, or TI, B = As or Sb, and X = S or Se
journal, November 1981
- Bastow, T. J.; Whitfield, H. J.
- Journal of Solid State Chemistry, Vol. 40, Issue 2
The influence of the precursor concentration on CuSbS2 thin films deposited from aqueous solutions
journal, May 2007
- Manolache, Simona; Duta, Anca; Isac, Luminita
- Thin Solid Films, Vol. 515, Issue 15
Thermoelectric properties of CuSbSe2 and its doped compounds by Ti and Pb at low temperatures from 5to310K
journal, July 2006
- Li, D.; Qin, X. Y.
- Journal of Applied Physics, Vol. 100, Issue 2
Solvothermal crystal growth of CuSbQ2 (Q=S, Se) and the correlation between macroscopic morphology and microscopic structure
journal, February 2009
- Zhou, Jian; Bian, Guo-Qing; Zhu, Qin-Yu
- Journal of Solid State Chemistry, Vol. 182, Issue 2
Crystal structures of chalcostibite (CuSbS 2 ) and emplectite (CuBiS 2 ): Structural relationship of stereochemical activity between chalcostibite and emplectite
journal, January 2005
- Kyono, Atsushi; Kimata, Mitsuyoshi
- American Mineralogist, Vol. 90, Issue 1
Optical, vibrational, thermal, electrical, damage, and phase-matching properties of lithium thioindate
journal, January 2004
- Fossier, Sandrine; Salaün, Sophie; Mangin, Jacques
- Journal of the Optical Society of America B, Vol. 21, Issue 11
The crystal chemistry of the solid solution series between chalcostibite (CuSbS 2 ) and emplectite (CuBiS 2 )
journal, February 1997
- Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.
- Mineralogical Magazine, Vol. 61, Issue 404
High-Pressure Routes in the Thermoelectricity or How One Can Improve a Performance of Thermoelectrics †
journal, February 2010
- Ovsyannikov, Sergey V.; Shchennikov, Vladimir V.
- Chemistry of Materials, Vol. 22, Issue 3
Pressure-tuned colossal improvement of thermoelectric efficiency of PbTe
journal, March 2007
- Ovsyannikov, Sergey V.; Shchennikov, Vladimir V.
- Applied Physics Letters, Vol. 90, Issue 12
Pressure-induced improvement of Seebeck coefficient and thermoelectric efficiency of CoSb3
journal, August 2014
- Wu, Lei; Sun, Yue; Zhang, Guo-Zhao
- Materials Letters, Vol. 129
Enhancement of thermoelectric performance with pressure in Ce0.8Fe3CoSb12.1
journal, September 2014
- Jacobsen, M. K.; Liu, W.; Li, B.
- Journal of Physics and Chemistry of Solids, Vol. 75, Issue 9
Structure of the intermediate phase of PbTe at high pressure
journal, June 2005
- Rousse, G.; Klotz, S.; Saitta, A. M.
- Physical Review B, Vol. 71, Issue 22
Beneficial effect of high pressure and double-atom-doped skutterudite compounds Co4Sb11.5−xTe0.5Snx by HPHT
journal, November 2014
- Sun, Hairui; Jia, Xiaopeng; Deng, Le
- Journal of Alloys and Compounds, Vol. 612
Improvement of thermoelectric performance for Te-doped CoSb3 by higher synthesis pressure
journal, July 2014
- Deng, L.; Wang, L. B.; Jia, X. P.
- Journal of Alloys and Compounds, Vol. 602
Diamond anvil cell and high-pressure physical investigations
journal, January 1983
- Jayaraman, A.
- Reviews of Modern Physics, Vol. 55, Issue 1, p. 65-108
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
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
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
High pressure transformations of ternary chalcogenides with chalcopyrite structure — I. Indium-containing compounds
journal, December 1969
- Range, Klaus-Jürgen; Engert, G.; Weiss, Armin
- Solid State Communications, Vol. 7, Issue 24
A lattice dynamical investigation of the zone center frequencies of the orthorhombic NdGaO 3 perovskite
journal, April 2001
- Rani, N.; Gohel, V. B.; Gupta, H. C.
- Journal of Physics and Chemistry of Solids, Vol. 62, Issue 5
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Micro-Raman spectroscopy of natural members along CuSbS 2 -CuSbSe 2 join
journal, May 2018
- Sejkora, Jiří; Buixaderas, Elena; Škácha, Pavel
- Journal of Raman Spectroscopy, Vol. 49, Issue 8
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
Copper–antimony and copper–bismuth chalcogenides—Research opportunities and review for solar photovoltaics
journal, January 2018
- Peccerillo, Enzo; Durose, Ken
- MRS Energy & Sustainability, Vol. 5
CuSbSe 2 /TiO 2 : novel type-II heterojunction nano-photocatalyst
journal, January 2019
- Kshirsagar, Anuraj S.; Khanna, Pawan K.
- Materials Chemistry Frontiers, Vol. 3, Issue 3
Reaction Tailoring for Synthesis of Phase-Pure Nanocrystals of AgInSe 2 , Cu 3 SbSe 3 and CuSbSe 2
journal, March 2018
- Kshirsagar, Anuraj S.; Khanna, Pawan. K.
- ChemistrySelect, Vol. 3, Issue 10
Copper Sulfides: Earth‐Abundant and Low‐Cost Thermoelectric Materials
journal, April 2019
- Mulla, Rafiq; Rabinal, Mohammad Hussain Kasim
- Energy Technology, Vol. 7, Issue 7
Pressure-induced conduction band convergence in the thermoelectric ternary chalcogenide CuBiS 2
journal, January 2019
- Alsaleh, Najebah M.; Shoko, Elvis; Schwingenschlögl, Udo
- Physical Chemistry Chemical Physics, Vol. 21, Issue 2
Observation of photoluminescence edge emission in CuSbSe 2 absorber material for photovoltaic applications
journal, August 2019
- Penezko, A.; Kauk-Kuusik, M.; Volobujeva, O.
- Applied Physics Letters, Vol. 115, Issue 9
Development of sputtered CuSbS 2 thin films grown by sequential deposition of binary sulfides
journal, April 2018
- Medina-Montes, M. I.; Vieyra-Brito, O.; Mathews, N. R.
- Semiconductor Science and Technology, Vol. 33, Issue 5
Growth of CuSbS 2 Single Crystal as an Environmentally Friendly Thermoelectric Material
journal, February 2019
- Nagaoka, Akira; Takeuchi, Manato; Yoshino, Kenji
- physica status solidi (a), Vol. 216, Issue 15
Phase transformation and photoelectrochemical characterization of Cu/Bi and Cu/Sb based selenide alloys as promising photoactive electrodes
journal, November 2019
- Eraky, M. S.; Sanad, M. M. S.; El-Sayed, E. M.
- AIP Advances, Vol. 9, Issue 11