Abstract
Cubic boron nitride (c-BN) has the same structure as diamond, and it shows very inert reaction activity in different chemical environments, even under high-pressure (P) and high-temperature (T) conditions. Furthermore, the P- and T-dependent Raman shift of c-BN (e.g., TO mode) can be distinguished from that of the diamond anvil (c-BN at ~1054 cm–1 vs. diamond at ~1331 cm–1 at ambient conditions), making c-BN a potential P-T sensor for diamond-anvil cell (DAC) experiments. However, the Raman shift of c-BN has not been well studied at high P-T conditions, especially at temperatures above 700 K. In this study, we systematically calibrated the Raman shift of the TO mode (νTO) for synthetic c-BN grains at high-P and high-T conditions up to 15 GPa and 1300 K. Both ruby (Mao et al. 1986) and Sm2+:SrB4O7 (Datchi et al. 2007) were used as internally consistent standards for calibration of c-BN P-T sensor. Our results show that the Raman shift of c-BN is negatively correlated with temperature [∂νTO/∂T = –0.02206(71)] but positively correlated with pressure [∂νTO/∂P = –3.35(2)]. More importantly, we found that the P-T cross derivative for the Raman shift of c-BN [∂2νTO/∂P∂T = 0.00105(7)] cannot be ignored, as it was assumed in previous studies. Finally, we calibrated a Raman shift P-T sensor of c-BN up to 15 GPa and 1300 K as follows:
where A(T) = 3.47(6) + 0.00105(7)T, B(T, ΔνTO) = 2.81(51) – 0.0053(16)T – 1.78(11) × 10–5 T2 – ΔνTO. The c-BN Raman shift P-T sensor in this study fills the P-T gap ranging from previously performed externally resistance-heated to laser-heated DAC experiments. The effect of c-BN grain size and Raman system laser power on the calibration were also tested for the P-T sensor. In addition, we conducted three sets of high-P-T experiments to test the practicability of c-BN P-T sensor for water-rock interaction experiments in DAC. Testing experiments showed c-BN has very stable chemical activity in water and clear Raman signal at high-P-T conditions in comparison with other P-T sensors (e.g., ruby, Sm2+:SrB4O7, and quartz). Hence, the Raman shifts of c-BN may serve as an ideal P-T sensor for studying water-rock interactions in a DAC, especially at high-P and high-T conditions relevant to subduction zones.
Funding statement: This study was supported by the National Key Research and Development Program of China (2019YFA0708501) and the NSFC Major Research Plan on West-Pacific Earth System Multispheric Interactions (project number: 92158206).
Acknowledgments
We thank Xiaojun Hu from the Wuhan University of Technology for kindly providing the synthetic c-BN powders and Chaoshuai Zhao and Heping Li for providing the synthetic Sm2+:SrB4O7 powders for the calibration work in this study. We also thank two anonymous reviewers for their constructive comments and Antonio dos Santos (Associate Editor) for his careful editorial handling and helpful suggestions.
References cited
Albe, K. (1997) Theoretical study of boron nitride modifications at hydrostatic pressures. Physical Review B: Condensed Matter, 55, 6203–6210, https://doi.org/10.1103/PhysRevB.55.6203Search in Google Scholar
Aleksandrov, I.V., Goncharov, A.F., Stishov, S.M., and Iakovenko, E.V. (1989) Equation of state and Raman scattering of light in cubic BN and SiC at high pressures. Pisma v. Zhurnal Eksperimentalnoi i Teoreticheskoi Fiziki, 50, 116–120.Search in Google Scholar
Alvarenga, A., Grimsditch, M., and Polian, A. (1992) Raman scattering from cubic boron nitride up to 1600 K. Journal of Applied Physics, 72, 1955–1956, https://doi.org/10.1063/1.351671Search in Google Scholar
Andreani, M., Daniel, I., and Pollet-Villard, M. (2013) Aluminum speeds up the hydrothermal alternation of olivine. American Mineralogist, 98, 1738–1744, https://doi.org/10.2138/am.2013.4469Search in Google Scholar
Barnett, J.D., Block, S., and Piermarini, G.J. (1973) An optical fluorescence system for quantitative pressure measurement in the diamond-anvil cell. The Review of Scientific Instruments, 44, 1–9, https://doi.org/10.1063/1.1685943Search in Google Scholar
Cui, H., Zhong, R., Wang, X., Li, Z., Ling, Y., Yu, C., and Chen, H. (2020) Reassessment of the zircon Raman spectroscopic pressure sensor and application to pressure determination of fused silica capillary capsule. Ore Geology Reviews, 122, 103540, https://doi.org/10.1016/j.oregeorev.2020.103540Search in Google Scholar
Datchi, F. and Canny, B. (2004) Raman spectrum of cubic boron nitride at high pressure and temperature. Physical Review B: Condensed Matter and Materials Physics, 69, 144106, https://doi.org/10.1103/PhysRevB.69.144106Search in Google Scholar
Datchi, F., LeToullec, R., and Loubeyre, P. (1997) Improved calibration of the Srb4O7:Sm2+ optical pressure gauge: advantages at very high pressures and high temperatures. Journal of Applied Physics, 81, 3333–3339, https://doi.org/10.1063/1.365025Search in Google Scholar
Datchi, F., Loubeyre, P., and LeToullec, R. (2000) Extended and accurate determination of the melting curves of argon, helium, ice (H2O), and hydrogen (H2) Physical Review B: Condensed Matter, 61, 6535–6546, https://doi.org/10.1103/PhysRevB.61.6535Search in Google Scholar
Datchi, F., Dewaele, A., Loubeyre, P., LeToullec, R., Le Godec, Y., and Canny, B. (2007) Optical pressure sensors for high-pressure–high-temperature studies in a diamond anvil cell. High Pressure Research, 27, 447–463, https://doi.org/10.1080/08957950701659593Search in Google Scholar
Dobrzhinetskaya, L.F., Wirth, R., Yang, J., Hutcheon, I.D., Weber, P.K., and Green, H.W. II (2009) High-pressure highly reduced nitrides and oxides from chromitite of a Tibetan ophiolite. Proceedings of the National Academy of Sciences, 106, 19233–19238, https://doi.org/10.1073/pnas.0905514106Search in Google Scholar
Dorogokupets, P.I. and Oganov, A.R. (2007) Ruby, metals, and MgO as alternative pressure scales: A semiempirical description of shock-wave, ultrasonic, X-ray, and thermochemical data at high temperatures and pressures. Physical Review B: Condensed Matter and Materials Physics, 75, 024115, https://doi.org/10.1103/PhysRevB.75.024115Search in Google Scholar
Facq, S., Daniel, I., Montagnac, G., Cardon, H., and Sverjensky, D.A. (2014) In situ Raman study and thermodynamic model of aqueous carbonate speciation in equilibrium with aragonite under subduction zone conditions. Geochimica et Cosmochimica Acta, 132, 375–390, https://doi.org/10.1016/j.gca.2014.01.030Search in Google Scholar
Facq, S., Daniel, I., Montagnac, G., Cardon, H., and Sverjensky, D.A. (2016) Carbon speciation in saline solutions in equilibrium with aragonite at high pressure. Chemical Geology, 431, 44–53, https://doi.org/10.1016/j.chemgeo.2016.03.021Search in Google Scholar
Farsang, S., Facq, S., and Redfern, S. (2018) Raman modes of carbonate minerals as pressure and temperature gauges up to 6 GPa and 500 °C. American Mineralogist, 103, 1988–1998.Search in Google Scholar
Farsang, S., Widmer, R.N., and Redfern, S. (2021) High-pressure and high-temperature vibrational properties and anharmonicity of carbonate minerals up to 6 GPa and 500 °C by Raman spectroscopy. American Mineralogist, 106, 581–598, https://doi.org/10.2138/am-2020-7404Search in Google Scholar
Fei, Y., Ricolleau, A., Frank, M., Mibe, K., Shen, G., and Prakapenka, V. (2007) Toward an internally consistent pressure scale. Proceedings of the National Academy of Sciences, 104, 9182–9186, https://doi.org/10.1073/pnas.0609013104Search in Google Scholar
Goncharov, A.F., Zaug, J.M., Crowhurst, J.C., and Gregoryanz, E. (2005) Optical calibration of pressure sensors for high pressures and temperatures. Journal of Applied Physics, 97, 094917, https://doi.org/10.1063/1.1895467Search in Google Scholar
Goncharov, A.F., Sinogeikin, S., Crowhurst, J.C., Ahart, M., Lakshtanov, D., Prakapenka, V., and Fei, Y. (2007) Cubic boron nitride as a primary calibrant for a high temperature pressure scale. High Pressure Research, 27, 409–417, https://doi.org/10.1080/08957950701659726Search in Google Scholar
Herchen, H. and Cappelli, M.A. (1993) Temperature dependence of the cubic boron nitride Raman lines. Physical Review B, 47, 14193–14199.Search in Google Scholar
Hess, N.J. and Schiferl, D. (1990) Pressure and temperature dependence of laser-induced fluorescence of Sm:YAG to 100 kbar and 700 °C and an empirical model. Journal of Applied Physics, 68, 1953–1960, https://doi.org/10.1063/1.346593Search in Google Scholar
Hu, X., Yang, G., Zhao, B., Li, P., Yang, J., Leng, C., Liu, H., Huang, H., and Fei, Y. (2018) Shock compression behavior of a mixture of cubic and hexagonal boron nitride. Journal of Applied Physics, 123, 175903, https://doi.org/10.1063/1.5023490Search in Google Scholar
Jing, Q., Wu, Q., Liu, Y., Zhang, Y., Liu, S., Liu, L., Xu, J., and Bi, Y. (2013) Effect of pressure and temperature on the wavelength shift of the fluorescence line of SrB4O7:Sm2+ scale. High Pressure Research, 33, 725–733, https://doi.org/10.1080/08957959.2013.845665Search in Google Scholar
Kantor, I., Prakapenka, V., Kantor, A., Dera, P., Kurnosov, A., Sinogeikin, S., Dubrovinskaia, N., and Dubrovinsky, L. (2012) BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements. The Review of Scientific Instruments, 83, 125102, https://doi.org/10.1063/1.4768541Search in Google Scholar
Lacam, A. and Chateau, C. (1989) High-pressure measurements at moderate temperatures in a diamond anvil cell with a new optical sensor: SrB4O7:Sm2+. Journal of Applied Physics, 66, 366–372, https://doi.org/10.1063/1.343884Search in Google Scholar
Leger, J., Chateau, C., and Lacam, A. (1990) SrB4O7:Sm2+ pressure optical sensor: investigations in the megabar range. Journal of Applied Physics, 68, 2351–2354, https://doi.org/10.1063/1.346543Search in Google Scholar
Manning, C.E. (1994) The solubility of quartz in H2O in the lower crust and upper mantle. Geochimica et Cosmochimica Acta, 58, 4831–4839, https://doi.org/10.1016/0016-7037(94)90214-3Search in Google Scholar
Mao, H.K., Bell, P.M., Shaner, J.W., and Steinberg, D.J. (1978) Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R1 fluorescence pressure gauge from 0.06 to 1 mbar. Journal of Applied Physics, 49, 3276–3283, https://doi.org/10.1063/1.325277Search in Google Scholar
Mao, H.K., Xu, J., and Bell, P.M. (1986) Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. Journal of Geophysical Research, 91 (B5), 4673–4676, https://doi.org/10.1029/JB091iB05p04673Search in Google Scholar
Ono, S., Mibe, K., and Ohishi, Y. (2014) Raman spectra of culet face of diamond anvils and application as optical pressure sensor to high temperatures. Journal of Applied Physics, 116, 053517, https://doi.org/10.1063/1.4891681Search in Google Scholar
Ono, S., Mibe, K., Hirao, N., and Ohishi, Y. (2015) In situ Raman spectroscopy of cubic boron nitride to 90 Gpa and 800 K. Journal of Physics and Chemistry of Solids, 76, 120–124, https://doi.org/10.1016/j.jpcs.2014.09.001Search in Google Scholar
Piermarini, G.J., Block, S., Barnett, J.D., and Forman, R.A. (1975) Calibration of the pressure dependence of the R1 ruby fluorescence line to 195 kbar. Journal of Applied Physics, 46, 2774–2780, https://doi.org/10.1063/1.321957Search in Google Scholar
Ragan, D.D., Gustavsen, R., and Schiferl, D. (1992) Calibration of the ruby R1 and R2 fluorescence shifts as a function of temperature from 0 to 600 K. Journal of Applied Physics, 72, 5539–5544, https://doi.org/10.1063/1.351951Search in Google Scholar
Raju, S.V., Zaug, J.M., Chen, B., Yan, J., Knight, J.W., Jeanloz, R., and Clark, S.M. (2011) Determination of the variation of the fluorescence line positions of ruby, strontium tetraborate, alexandrite, and samarium-doped yttrium aluminum garnet with pressure and temperature. Journal of Applied Physics, 110, 023521, https://doi.org/10.1063/1.3608167Search in Google Scholar
Rashchenko, S.V., Kurnosov, A., Dubrovinsky, L., and Litasov, K.D. (2015) Revised calibration of the Sm2+SrB4O7 pressure sensor using the Sm-doped yttrium-aluminum garnet primary pressure scale. Journal of Applied Physics, 117, 145902, https://doi.org/10.1063/1.4918304Search in Google Scholar
Sanjurjo, J.A., López-Cruz, E., Vogl, P., and Cardona, M. (1983) Dependence on volume of the phonon frequencies and the IR effective charges of several III–V semiconductors. Physical Review B: Condensed Matter, 28, 4579–4584, https://doi.org/10.1103/PhysRevB.28.4579Search in Google Scholar
Schmidt, C. and Ziemann, M.A. (2000) In-situ Raman spectroscopy of quartz: A pressure sensor for hydrothermal diamond-anvil cell experiments at elevated temperatures. American Mineralogist, 85, 1725–1734, https://doi.org/10.2138/am-2000-11-1216Search in Google Scholar
Schmidt, C., Steele-MacInnis, M., Watenphul, A., and Wilke, M. (2013) Calibration of zircon as a Raman spectroscopic pressure sensor to high temperatures and application to water-silicate melt systems. American Mineralogist, 98, 643–650, https://doi.org/10.2138/am.2013.4143Search in Google Scholar
Shen, Y.R., Gregorian, T., and Holzapfel, W.B. (1991) Progress in pressure measurements with luminescence sensors. High Pressure Research, 7, 73–75, https://doi.org/10.1080/08957959108245510Search in Google Scholar
Shen, G., Smith, J.S., Kenney-Benson, C., and Klotz, S. (2021) Calibration of ruby(Cr3+Al2O3) and Sm2+SrFCl luminescence lines from the melting of mercury: constraints on the initial slopes. High Pressure Research, 41(1), 1–9.Search in Google Scholar
Tardieu, A., Cansell, F., and Petitet, J.P. (1990) Pressure and temperature dependence of the first-order Raman mode of diamond. Journal of Applied Physics, 68, 3243–3245, https://doi.org/10.1063/1.346375Search in Google Scholar
Tropper, P. and Manning, C.E. (2007) The solubility of corundum in H2O at high pressure and temperature and its implications for Al mobility in the deep crust and upper mantle. Chemical Geology, 240, 54–60, https://doi.org/10.1016/j.chemgeo.2007.01.012Search in Google Scholar
Trots, D.M., Kurnosov, A., Boffa Ballaran, T., Tkachev, S., Zhuravlev, K., Prakapenka, V., Berkowski, M., and Frost, D.J. (2013) The Sm: YAG primary fluorescence pressure scale. Journal of Geophysical Research: Solid Earth, 118, 5805–5813, https://doi.org/10.1002/2013JB010519Search in Google Scholar
Wentorf, R.H. Jr. (1957) Cubic form of boron nitride. The Journal of Chemical Physics, 26, 956, https://doi.org/10.1063/1.1745964Search in Google Scholar
Werninghaus, T., Hahn, J., Richter, F., and Zahn, D. (1997) Raman spectroscopy investigation of size effects in cubic boron nitride. Applied Physics Letters, 70, 958–960, https://doi.org/10.1063/1.118452Search in Google Scholar
Yang, Y., Zhang, K., and Cui, X. (1993) Relation between the heat of fusion and the melting point of metal. Journal of Inner Mongolia University of Technology (Natural Science), 02.Search in Google Scholar
Zhao, C., Li, H., Wang, Y., Jiang, J., and He, Y. (2017) SrB4O7:Sm2+ an optical sensor reflecting non-hydrostatic pressure at high-temperature and/or high pressure in a diamond anvil cell. High Pressure Research, 37, 18–27, https://doi.org/10.1080/08957959.2016.1269899Search in Google Scholar
© 2023 by Mineralogical Society of America
Articles in the same Issue
- Mineralogy and bulk geochemistry of a fumarole at Hverir, Iceland: Analog for acid-sulfate leaching on Mars
- The crystal structure and chemistry of natural giniite and implications for Mars
- Solid solution of CaSiO3 and MgSiO3 perovskites in the lower mantle: The role of ferrous iron
- Secondary ion mass spectrometer analyses for trace elements in glass standards using variably charged silicon ions for normalization
- Raman shifts of c-BN as an ideal P-T sensor for studying water-rock interactions in a diamond-anvil cell
- Resetting of the U-Pb and Th-Pb systems in altered bastnäsite: Insight from the behavior of Pb at nanoscale
- X-ray diffraction reveals two structural transitions in szomolnokite
- Contamination of heterogeneous lower crust in Hannuoba tholeiite: Evidence from in situ trace elements and strontium isotopes of plagioclase
- Oxygen fugacity buffering in high-pressure solid media assemblies from IW-6.5 to IW+4.5 and application to the V K-edge oxybarometer
- Trace element partitioning between anhydrite, sulfate melt, and silicate melt
- Chemical reaction between ferropericlase (Mg,Fe)O and water under high pressure-temperature conditions of the deep lower mantle
- Composition-dependent thermal equation of state of B2 Fe-Si alloys at high pressure
- Effects of thermal annealing on water content and δ18O in zircon
- Tourmaline and zircon trace the nature and timing of magmatic-hydrothermal episodes in granite-related Sn mineralization: Insights from the Libata Sn ore field
- Cation ordering, twinning, and pseudo-symmetry in silicate garnet: The study of a birefringent garnet with orthorhombic structure
- The occurrence of monoclinic jarosite in natural environments
- Niobium speciation in minerals revealed by L2,3-edges XANES spectroscopy
- The first occurrence of the carbide anion, C4–, in an oxide mineral: Mikecoxite, ideally (CHg4)OCl2, from the McDermitt open-pit mine, Humboldt County, Nevada, U.S.A
- Hydrothermal alteration of Ni-rich sulfides in peridotites of Abu Dahr, Eastern Desert, Egypt: Relationships among minerals in the Fe-Ni-Co-O-S system, fO2 and fS2
- New Mineral Names: Arsenic and Lead
Articles in the same Issue
- Mineralogy and bulk geochemistry of a fumarole at Hverir, Iceland: Analog for acid-sulfate leaching on Mars
- The crystal structure and chemistry of natural giniite and implications for Mars
- Solid solution of CaSiO3 and MgSiO3 perovskites in the lower mantle: The role of ferrous iron
- Secondary ion mass spectrometer analyses for trace elements in glass standards using variably charged silicon ions for normalization
- Raman shifts of c-BN as an ideal P-T sensor for studying water-rock interactions in a diamond-anvil cell
- Resetting of the U-Pb and Th-Pb systems in altered bastnäsite: Insight from the behavior of Pb at nanoscale
- X-ray diffraction reveals two structural transitions in szomolnokite
- Contamination of heterogeneous lower crust in Hannuoba tholeiite: Evidence from in situ trace elements and strontium isotopes of plagioclase
- Oxygen fugacity buffering in high-pressure solid media assemblies from IW-6.5 to IW+4.5 and application to the V K-edge oxybarometer
- Trace element partitioning between anhydrite, sulfate melt, and silicate melt
- Chemical reaction between ferropericlase (Mg,Fe)O and water under high pressure-temperature conditions of the deep lower mantle
- Composition-dependent thermal equation of state of B2 Fe-Si alloys at high pressure
- Effects of thermal annealing on water content and δ18O in zircon
- Tourmaline and zircon trace the nature and timing of magmatic-hydrothermal episodes in granite-related Sn mineralization: Insights from the Libata Sn ore field
- Cation ordering, twinning, and pseudo-symmetry in silicate garnet: The study of a birefringent garnet with orthorhombic structure
- The occurrence of monoclinic jarosite in natural environments
- Niobium speciation in minerals revealed by L2,3-edges XANES spectroscopy
- The first occurrence of the carbide anion, C4–, in an oxide mineral: Mikecoxite, ideally (CHg4)OCl2, from the McDermitt open-pit mine, Humboldt County, Nevada, U.S.A
- Hydrothermal alteration of Ni-rich sulfides in peridotites of Abu Dahr, Eastern Desert, Egypt: Relationships among minerals in the Fe-Ni-Co-O-S system, fO2 and fS2
- New Mineral Names: Arsenic and Lead