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

Turn off MathJax

Article Contents

Abstract

References

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

ZHANG Yuanhao, CHENG Zhongqing, HOU Hailiang, ZHU Xi. Numerical Simulation of Residual Characteristics of Protecting Liquid Cabin Penetrated by High Velocity Cube Fragments[J]. Chinese Journal of High Pressure Physics, 2019, 33(1): 015103. doi: 10.11858/gywlxb.20180576

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

Citation:

PDF( 6707 KB)

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

FullText(HTML)

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

Relative Articles

[1]	WANG Yichuan. Raman Scattering of Grossular-Andradite Solid Solution[J]. Chinese Journal of High Pressure Physics, 2020, 34(4): 040101. doi: 10.11858/gywlxb.20200512
[2]	ZHAO Huifang, TAN Dayong, JIANG Feng, XIE Yafei, JIANG Changguo, LUO Xingli, XIAO Wansheng. Raman Evidences of Chemical Reaction of Re-H₂O System at High Pressure and High Temperature[J]. Chinese Journal of High Pressure Physics, 2020, 34(4): 040102. doi: 10.11858/gywlxb.20200518
[3]	SONG Haipeng, LIU Yungui, LI Xiang, JIN Shuyu, WANG Xinyu, WU Xiang. High-Pressure Raman Spectroscopic Study of Hydroxylbastnäsite-(Ce)[J]. Chinese Journal of High Pressure Physics, 2019, 33(6): 060105. doi: 10.11858/gywlxb.20190847
[4]	HE Yunhong, TIAN Yu, ZHAO Huifang, JIANG Feng, TAN Dayong, XIAO Wansheng. Raman Evidences for Phase Transition of Sodium Perchlorate at High Pressure[J]. Chinese Journal of High Pressure Physics, 2018, 32(4): 041201. doi: 10.11858/gywlxb.20180543
[5]	HAN Xi, WU Ye, HUANG Haijun. High Pressure Raman Investigation of BiFeO₃[J]. Chinese Journal of High Pressure Physics, 2018, 32(5): 051202. doi: 10.11858/gywlxb.20170698
[6]	TIAN Yu, LIU Xue-Ting, HE Yun-Hong, ZHAO Hui-Fang, JIANG Feng, TAN Da-Yong, XIAO Wan-Sheng. Raman Evidences of Chemical Reaction of NaCl-O₂ System at High Pressure and High Temperature[J]. Chinese Journal of High Pressure Physics, 2017, 31(6): 692-697. doi: 10.11858/gywlxb.2017.06.003
[7]	LI Dong-Fei, ZHANG Ke-Wei, LI Zuo-Wei, LIU Cheng-Zhi, GUO Rui, SUN Cheng-Lin, LI Hai-Bo. High Pressure Raman Investigation of Td-WTe₂ Bulk Single Crystal[J]. Chinese Journal of High Pressure Physics, 2016, 30(5): 369-374. doi: 10.11858/gywlxb.2016.05.004
[8]	FAN Hao-Tian, SU Tai-Chao, LI Hong-Tao, ZHU Hong-Yu, LIU Bing-Guo, LI Shang-Sheng, HU Mei-Hua, MA Hong-An, JIA Xiao-Peng. High Pressure Synthesis and Electrical Properties of Ag_1-xPb₁₈SbTe₂₀[J]. Chinese Journal of High Pressure Physics, 2015, 29(3): 219-222. doi: 10.11858/gywlxb.2015.03.009
[9]	YUAN Zhen, ZHANG Shao-Peng, JIN Chang-Qing, WANG Xiao-Hui. Raman Spectroscopy Studies of Nanocrystalline Lead Zirconate Titanate as Functions of High Pressure[J]. Chinese Journal of High Pressure Physics, 2015, 29(2): 95-98. doi: 10.11858/gywlxb.2015.02.002
[10]	FAN Da-Wei, XU Jin-Gui, WEI Shu-Yi, CHEN Zhi-Qiang, XIE Hong-Sen. In-Situ High-Pressure Synchrotron X-Ray Diffraction of Natural Epidote[J]. Chinese Journal of High Pressure Physics, 2014, 28(3): 257-261. doi: 10.11858/gywlxb.2014.03.001
[11]	FAN Da-Wei, WEI Shu-Yi, LIU Jing, XIE Hong-Sen. X-Ray Diffraction Investigation of Chalcopyrite under High Pressure and Temperature[J]. Chinese Journal of High Pressure Physics, 2013, 27(6): 828-832. doi: 10.11858/gywlxb.2013.06.006
[12]	GAO Ling-Ling, MA Yan-Mei, LIU Dan, HAO Jian, JIN Yun-Xia, WANG Feng, WANG Qiu-Shi, ZOU Guang-Tian, CUI Qi-Liang. Raman Spectra Characterization of Cycloheptane under High Pressure[J]. Chinese Journal of High Pressure Physics, 2008, 22(2): 192-196 . doi: 10.11858/gywlxb.2008.02.013
[13]	QIN Shan, LIU Jing, LI Hai-Jian, ZHU Xiang-Ping, LI Xiao-Dong. In-Situ High-Pressure X-Ray Diffraction of Natural Beryl[J]. Chinese Journal of High Pressure Physics, 2008, 22(1): 1-5 . doi: 10.11858/gywlxb.2008.01.001
[14]	HUANG Wei-Jun, CUI Qi-Liang, BI Yan, ZHOU Qiang, ZOU Guang-Tian. Electrical Conductivity and X-Ray Diffraction Study of Iron under High Pressures[J]. Chinese Journal of High Pressure Physics, 2007, 21(1): 40-44 . doi: 10.11858/gywlxb.2007.01.007
[15]	ZHAO Jin, ZHENG Hai-Fei. Research on Raman Spectra of Calcite at Pressure of 0.1~800 MPa[J]. Chinese Journal of High Pressure Physics, 2003, 17(3): 226-229 . doi: 10.11858/gywlxb.2003.03.012
[16]	GU Hui-Cheng, CHEN Liang-Chen, BAO Zhong-Xing, LI Feng-Ying. Phase Transition of Pb0.8Sn0.2Te Crystal under High Pressure[J]. Chinese Journal of High Pressure Physics, 1996, 10(3): 227-230 . doi: 10.11858/gywlxb.1996.03.010
[17]	LI Hai-Bo, ZHENG Wei-Tao, GONG Jie, ZUO Yun-Tong, YU Rui-Huang. The X-Ray Diffraction Studies of -Fe2O3 Ultrafine Particles Treated by High Pressure[J]. Chinese Journal of High Pressure Physics, 1996, 10(3): 176-181 . doi: 10.11858/gywlxb.1996.03.003
[18]	LIU Li-Jun, CHEN Liang-Chen, Chen Hong, WANG Ru-Ju, ZHANG Zhi-Ting, CHE Rong-Zheng, ZHOU Lei, WANG Ji-Fang, LI Yu-Liang, YAO You-Xin, et al. X-Ray Diffraction Studies on C60 under High Pressure[J]. Chinese Journal of High Pressure Physics, 1993, 7(3): 202-207 . doi: 10.11858/gywlxb.1993.03.006
[19]	LIU Zhen-Xian, CUI Qi-Liang, ZHAO Yong-Nian, ZOU Guang-Tian. Influence of Pressure-Transmitting Media on the Lattice Vibration and Phase Transition Pressure-High Pressure Raman Spectra Studies of -Bi2O3[J]. Chinese Journal of High Pressure Physics, 1990, 4(2): 81-86 . doi: 10.11858/gywlxb.1990.02.001
[20]	WANG Yi-Feng, SU Wen-Hui, QIAN Zheng-Nan, MA Xian-Feng, YAN Xue-Wei. A Study on the High Temperature-High Pressure Stability and the X-Ray Phase Analysis for Compounds R2Fe4/3W2/3O7 with Pyrochlore Structure[J]. Chinese Journal of High Pressure Physics, 1988, 2(4): 296-304 . doi: 10.11858/gywlxb.1988.04.002

Supplements(0)

Cited By

Proportional views

Proportional views

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Figures(7) / Tables(2)

Get Citation

PDF

XML

Article Metrics

Article views(6986) PDF downloads(84)

High Pressure Raman Spectroscopy and X-ray Diffraction of CuS₂

doi: 10.11858/gywlxb.20200509

Abstract

References

Relative Articles

Proportional views

Catalog

通讯作者: 陈斌, bchen63@163.com

Article Metrics

Proportional views

Related

High Pressure Raman Spectroscopy and X-ray Diffraction of CuS2

doi: 10.11858/gywlxb.20200509

Abstract

References

Relative Articles

Proportional views

Catalog

通讯作者: 陈斌, bchen63@163.com

Article Metrics

Proportional views

Related

Export File

Citation

Format

Content

High Pressure Raman Spectroscopy and X-ray Diffraction of CuS₂