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High-pressure experimental study of tetragonal CaSiO3-perovskite to 200 GPa

  • Ningyu Sun , Hui Bian , Youyue Zhang , Jung-Fu Lin , Vitali B. Prakapenka and Zhu Mao
Published/Copyright: December 28, 2021
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Abstract

In this study, we have investigated the crystal structure and equation of state of tetragonal CaSiO3- perovskite up to 200 GPa using synchrotron X‑ray diffraction in laser-heated diamond-anvil cells. X‑ray diffraction patterns of the quenched CaSiO3-perovskite above 148 GPa clearly show that 200, 211, and 220 peaks of the cubic phase split into 004+220, 204+312, and 224+400 peak pairs, respectively, in the tetragonal structure, and their calculated full-width at half maximum (FWHM) exhibits a substantial increase with pressure. The distribution of diffraction peaks suggests that the tetragonal CaSiO3- perovskite most likely has an I4/mcm space group at 300 K between 148 and 199 GPa, although other possibilities might still exist. Using the Birch-Murnaghan equations, we have determined the equation of state of tetragonal CaSiO3-perovskite, yielding the bulk modulus K0T = 227(21) GPa with the pressure derivative of the bulk modulus, K0T = 4.0(3). Modeled sound velocities at 580 K and around 50 GPa using our results and literature values show the difference in the compressional (VP) and shear-wave velocity (VS) between the tetragonal and cubic phases to be 5.3 and 6.7%, respectively. At ~110 GPa and 1000 K, this phase transition leads to a 4.3 and 9.1% jump in VP and VS, respectively. Since the addition of Ti can elevate the transition temperature, the transition from the tetragonal to cubic phase may have a seismic signature compatible with the observed mid-lower mantle discontinuity around the cold subduction slabs, which needs to be explored in future studies.

Funding statement: Z. Mao acknowledges supports from the National Science Foundation of China (41874101), Strategic Priority Research Program of the Chinese Academy of Sciences (XDB41000000), National Key R&D Program of China (2018YFA0702703), and Funds for leading talents of USTC (KY2080000061). N. Sun acknowledges supports from Fundamental Research Funds for the Central Universities (WK2080000133). J.F. Lin acknowledges support from Geophysics Program of the National Science Foundation (EAR-1916941). Portions of this work were performed at GeoSoilEnviroCARS (The University of Chicago, Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation-Earth Sciences (EAR-1634415) and Department of Energy-GeoSciences (DE-FG02-94ER14466). This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

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Received: 2020-11-29
Accepted: 2021-01-15
Published Online: 2021-12-28
Published in Print: 2022-01-27

© 2022 Mineralogical Society of America

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