High Pressure Raman Spectroscopy and X-ray Diffraction of CuS<sub>2</sub>

JIANG Feng; ZHAO Huifang; XIE Yafei; JIANG Changguo; TAN Dayong; XIAO Wansheng

doi:10.11858/gywlxb.20200509

Volume 34 Issue 4

Jul 2020

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Chinese Journal of High Pressure Physics > 2020 > 34(4): 040104.

JIANG Feng, ZHAO Huifang, XIE Yafei, JIANG Changguo, TAN Dayong, XIAO Wansheng. High Pressure Raman Spectroscopy and X-ray Diffraction of CuS2[J]. Chinese Journal of High Pressure Physics, 2020, 34(4): 040104. doi: 10.11858/gywlxb.20200509

Citation:

JIANG Feng, ZHAO Huifang, XIE Yafei, JIANG Changguo, TAN Dayong, XIAO Wansheng. High Pressure Raman Spectroscopy and X-ray Diffraction of CuS₂[J]. Chinese Journal of High Pressure Physics, 2020, 34(4): 040104. doi: 10.11858/gywlxb.20200509

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High Pressure Raman Spectroscopy and X-ray Diffraction of CuS₂

doi: 10.11858/gywlxb.20200509

JIANG Feng^{1, 2, 3
,},
ZHAO Huifang^{1, 2, 3},
XIE Yafei^{1, 2, 3},
JIANG Changguo^{1, 2, 3},
TAN Dayong^{1, 2},
XIAO Wansheng^{1, 2,*
,
,}

1.
CAS Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640, Guangdong, China
2.
Key Lab of Guangdong Province for Mineral Physics and Materials, Guangzhou 510640, Guangdong, China
3.
University of Chinese Academy of Sciences, Beijing 100049, China

Received Date: 17 Feb 2020
Rev Recd Date: 26 Feb 2020
Issue Publish Date: 25 Apr 2020

Abstract

Abstract

Pyrite structure CuS₂ was synthesized in diamond anvil cell at high pressures and high temperatures. Using Raman spectroscopy and synchrotron X-ray diffraction, the pyrite-type CuS₂ was found to be stable in 0－30 GPa without any phase transition. Raman spectroscopy show that all observed Raman frequencies increasemonotonously with increasing pressures. Fitting experimental pressure and volume data of X-ray diffraction with Birch-Murnaghan equation of state, gives V₀ = 193.8(5) Å³, K₀ = 99(2) GPa and K₀' = 4 (fix). The dependencies of Raman frequencies and unit-cell volumes with pressures are coincident with the results of first-principles calculation. The results of calculation properly depict that of experiments. Compared with other pyrite structure transition-metal disulfides MS₂(M = Mn, Fe, Co, Ni), the length of M—S dominates the unit-cell volume and compressibility of MS₂, and the Cu cation tends to be +2 valance in the CuS₂. This study makes up for the lack of high-pressure Raman and XRD research of CuS₂, and confirms structural stability of pyrite-type CuS₂ at high pressures and high temperatures. The results are important for comprehending the physical and chemical properties of CuS₂ and realizing the unified law of pyrite structure materials. It’s also meaningful in discussion of the valance and distribution of copper in deep Earth.
- pyrite structure,
- CuS₂,
- Raman spectroscopy,
- X-ray diffraction,
- high pressure

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References(43)

References

[1]	BROSTIGEN G, KJEKSHUS A. Redetermined crystal structure of FeS₂(Pyrite) [J]. Acta Chemica Scandinavica, 1969, 23(6): 2186–2188. doi: 10.3891/acta.chem.scand.23-2186
[2]	BITHER T A, BOUCHARD R, CLOUD W, et al. Transition metal pyrite dichalcogenides. High-pressure synthesis and correlation of properties [J]. Inorganic Chemistry, 1968, 7(11): 2208–2220.
[3]	NOWACK E, SCHWARZENBACH D, HAHN T. Charge densities in CoS₂ and NiS₂(pyrite structure) [J]. Acta Crystallographica Section B: Structural Science, 1991, 47(5): 650–659. doi: 10.1107/S0108768191004871
[4]	MAKOVICKY E. Crystal structures of sulfides and other chalcogenides [J]. Reviews in Mineralogy and Geochemistry, 2006, 61(1): 7–125. doi: 10.2138/rmg.2006.61.2
[5]	TEMPLETON D H, DAUBEN C H. The crystal structure of sodium superoxide [J]. Journal of the American Chemical Society, 1950, 72(5): 2251–2254. doi: 10.1021/ja01161a103
[6]	KJEKSHUS A, RAKKE T. Preparation and properties of magnesium, copper, zinc and cadmium dichalcogenides [J]. Acta Chemica Scandinavica A, 1979, 33(8): 617–620. doi: 10.3891/acta.chem.scand.33a-0617
[7]	KUWAYAMA Y, HIROSE K, SATA N, et al. The pyrite-type high-pressure form of silica [J]. Science, 2005, 309(5736): 923–925. doi: 10.1126/science.1114879
[8]	SHIRAKO Y, WANG X, TSUJIMOTO Y, et al. Synthesis, crystal structure, and electronic properties of high-pressure PdF₂-type oxides MO₂(M= Ru, Rh, Os, Ir, Pt) [J]. Inorganic Chemistry, 2014, 53(21): 11616–11625. doi: 10.1021/ic501770g
[9]	YU R, ZHAN Q, DE JONGHE L C. Crystal structures of and displacive transitions in OsN₂, IrN₂, RuN₂, and RhN₂ [J]. Angewandte Chemie International Edition, 2007, 46(7): 1136–1140. doi: 10.1002/anie.200604151
[10]	HU Q, KIM D Y, YANG W, et al. FeO₂ and FeOOH under deep lower-mantle conditions and Earth’s oxygen-hydrogen cycles [J]. Nature, 2016, 534(7606): 241–244. doi: 10.1038/nature18018
[11]	LIU J, HU Q Y, BI W L, et al. Altered chemistry of oxygen and iron under deep Earth conditions [J]. Nature Communications, 2019, 10(1): 153. doi: 10.1038/s41467-018-08071-3
[12]	KLEPPE A K, JEPHCOAT A P. High-pressure Raman spectroscopic studies of FeS₂ pyrite [J]. Mineralogical Magazine, 2004, 68(3): 433–441. doi: 10.1180/0026461046830196
[13]	HARRAN I, CHEN Y Z, WANG H Y, et al. High-pressure induced phase transition of FeS₂: electronic, mechanical and thermoelectric properties [J]. Journal of Alloys and Compounds, 2017, 710: 267–273. doi: 10.1016/j.jallcom.2017.03.256
[14]	KIMBER S A J, SALAMAT A, EVANS S R, et al. Giant pressure-induced volume collapse in the pyrite mineral MnS₂ [J]. Proceedings of the National Academy of Sciences of the United States of America, 2014, 111(14): 5106–5110. doi: 10.1073/pnas.1318543111
[15]	FUJII T, TANAKA K, MARUMO F, et al. Structural behaviour of NiS₂ up to 54 kbar [J]. Mineralogical Journal, 1987, 13(7): 448–454. doi: 10.2465/minerj.13.448
[16]	ELGHAZALI M A, NAUMOV P G, MU Q, et al. Pressure-induced metallization, transition to the pyrite-type structure, and superconductivity in palladium disulfide PdS₂ [J]. Physical Review B, 2019, 100(1): 014507. doi: 10.1103/PhysRevB.100.014507
[17]	HUANG S X, WU X, QIN S. Ultrahigh-pressure phase transitions in FeS₂ and FeO₂: implications for super-earths' deep interior [J]. Journal of Geophysical Research, 2018, 123(1): 277–284. doi: 10.1002/2017JB014766
[18]	BITHER T A, PREWITT C T, GILLSON J L, et al. New transition metal dichalcogenides formed at high pressure [J]. Solid State Communications, 1966, 4(10): 533–535. doi: 10.1016/0038-1098(66)90419-4
[19]	MUNSON R A. The synthesis of copper disulfide [J]. Inorganic Chemistry, 1966, 5(7): 1296–1297. doi: 10.1021/ic50041a055
[20]	BAYLISS P. Crystal chemistry and crystallography of some minerals within the pyrite group [J]. American Mineralogist, 1989, 74(9/10): 1168–1176.
[21]	UEDA H, NOHARA M, KITAZAWA K, et al. Copper pyrites CuS₂ and CuSe₂ as anion conductors [J]. Physical Review B, 2002, 65(15): 155104. doi: 10.1103/PhysRevB.65.155104
[22]	KAKIHANA M, MATSUDA T D, HIGASHINAKA R, et al. Superconducting and fermi surface properties of pyrite-type compounds CuS₂ and CuSe₂ [J]. Journal of the Physical Society of Japan, 2019, 88(1): 014702. doi: 10.7566/JPSJ.88.014702
[23]	KING H E, PREWITT C T. Structure and symmetry of CuS₂(pyrite structure) [J]. American Mineralogist, 1979, 64(11/12): 1265–1271.
[24]	MOSSELMANS J F W, PATTRICK R A D, VAN DER LAAN G, et al. X-ray absorption near-edge spectra of transition metal disulfides FeS₂(pyrite and marcasite), CoS₂, NiS₂ and CuS₂, and their isomorphs FeAsS and CoAsS [J]. Physics and Chemistry of Minerals, 1995, 22(5): 311–317. doi: 10.1007/BF00202771
[25]	FOLMER J C W, JELLINEK F, CALIS G H M. The electronic structure of pyrites, particularly CuS₂ and Fe_{1- x}Cu_xSe₂: an XPS and Mössbauer study [J]. Journal of Solid State Chemistry, 1988, 72(1): 137–144. doi: 10.1016/0022-4596(88)90017-5
[26]	TOSSELL J A, VAUGHAN D J, BURDETT J K. Pyrite, marcasite, and arsenopyrite type minerals: crystal chemical and structural principles [J]. Physics and Chemistry of Minerals, 1981, 7(4): 177–184. doi: 10.1007/BF00307263
[27]	HÜPEN H, WILL G, HÖFFNER C, et al. X-ray diffraction of CuS₂ under high pressure [J]. Materials Science Forum, 1991, 79/80/81/82: 697–702. doi: 10.4028/www.scientific.net/MSF.79-82.697
[28]	NIWA K, TERABE T, SUZUKI K, et al. High-pressure stability and ambient metastability of marcasite-type rhodium pernitride [J]. Journal of Applied Physics, 2016, 119(6): 065901. doi: 10.1063/1.4941436
[29]	TSE J S, KLUG D D, UEHARA K, et al. Elastic properties of potential superhard phases of RuO₂ [J]. Physical Review B, 2000, 61(15): 10029–10034. doi: 10.1103/PhysRevB.61.10029
[30]	MAO H K, XU J, BELL P M. Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions [J]. Journal of Geophysical Research, 1986, 91(B5): 4673–4676. doi: 10.1029/JB091iB05p04673
[31]	DATCHI F, LETOULLEC R, LOUBEYRE P. Improved calibration of the SrB₄O₇: Sm²⁺ optical pressure gauge: advantages at very high pressures and high temperatures [J]. Journal of Applied Physics, 1997, 81(8): 3333–3339. doi: 10.1063/1.365025
[32]	HAMMERSLEY A P, SVENSSON S O, HANFLAND M, et al. Two-dimensional detector software: from real detector to idealised image or two-theta scan [J]. High Pressure Research, 1996, 14(4/5/6): 235–248. doi: 10.1080/08957959608201408
[33]	GONZALEZ-PLATAS J, ALVARO M, NESTOLA F, et al. EosFit7-GUI: a new graphical user interface for equation of state calculations, analyses and teaching [J]. Journal of Applied Crystallography, 2016, 49(4): 1377–1382. doi: 10.1107/S1600576716008050
[34]	TOBY B H, VON DREELE R B. GSAS-II: the genesis of a modern open-source all purpose crystallography software package [J]. Journal of Applied Crystallography, 2013, 46(2): 544–549. doi: 10.1107/S0021889813003531
[35]	PERDEW J P, BURKE K, ERNZERHOF M. Generalized gradient approximation made simple [J]. Physical Review Letters, 1996, 77(18): 3865–3868. doi: 10.1103/PhysRevLett.77.3865
[36]	ECKERT B, SCHUMACHER R, JODL H J, et al. Pressure and photo-induced phase transitions in sulphur investigated by Raman spectroscopy [J]. High Pressure Research, 2000, 17(2): 113–146. doi: 10.1080/08957950008200934
[37]	PEIRIS S M, SWEENEY J S, CAMPBELL A J, et al. Pressure-induced amorphization of covellite, CuS [J]. The Journal of Chemical Physics, 1996, 104(1): 11–16. doi: 10.1063/1.470870
[38]	ANASTASSAKIS E, PERRY C H. Light scattering and ir measurements in XS₂ pryite-type compounds [J]. The Journal of Chemical Physics, 1976, 64(9): 3604–3609. doi: 10.1063/1.432711
[39]	VOGT H, CHATTOPADHYAY T, STOLZ H J. Complete first-order Raman spectra of the pyrite structure compounds FeS₂, MnS₂ and SiP₂ [J]. Journal of Physics and Chemistry of Solids, 1983, 44(9): 869–873. doi: 10.1016/0022-3697(83)90124-5
[40]	SOURISSEAU C, CAVAGNAT R, FOUASSIER M. The vibrational properties and valence force fields of FeS₂, RuS₂ pyrites and FeS₂ marcasite [J]. Journal of Physics and Chemistry of Solids, 1991, 52(3): 537–544. doi: 10.1016/0022-3697(91)90188-6
[41]	THOMPSON E C, CHIDESTER B A, FISCHER R A, et al. Equation of state of pyrite to 80 GPa and 2 400 K [J]. American Mineralogist, 2016, 101(5): 1046–1051. doi: 10.2138/am-2016-5527
[42]	BRAZHKIN V V, DZHAVADOV L N, EL'KIN F S. Study of the compressibility of FeSi, MnSi, and CoS₂ transition-metal compounds at high pressures [J]. JETP Letters, 2016, 104(2): 99–104. doi: 10.1134/S0021364016140083
[43]	YUY G, ROSS N L. Prediction of high-pressure polymorphism in NiS₂ at megabar pressures [J]. Journal of Physics: Condensed Matter, 2010, 22(23): 235401. doi: 10.1088/0953-8984/22/23/235401

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