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Equations of state of Co2TiO4-Sp, Co2TiO4-CM, and Co2TiO4-CT, and their phase transitions: an experimental and theoretical study

  • Yanyao Zhang
  • Xi LiuEmail author
  • Sean R. Shieh
  • Zhigang Zhang
  • Xinjian Bao
  • Tianqi Xie
  • Fei Wang
  • Clemens Prescher
  • Vitali B. Prakapenka
Original Paper
  • 52 Downloads

Abstract

Co2TiO4 spinel (Co2TiO4-Sp) was synthesized at 1573 K and room P by heating in an argon atmosphere for 72 h, and quasi-hydrostatically compressed to ~ 24 GPa using a diamond-anvil cell in conjunction with a synchrotron X-ray radiation (ambient T). We found that the Co2TiO4-Sp was stable up to ~ 21 GPa and transformed to a new phase at higher P. With some theoretical simulations, we revealed that this new phase adopted the CaMn2O4-type structure (Co2TiO4-CM), which might further transform to the CaTi2O4-type structure (Co2TiO4-CT) at ~ 35 GPa. The isothermal bulk modulus (KT) was experimentally obtained as 175.5(36) GPa for the Co2TiO4-Sp and 161(7) GPa for the Co2TiO4-CM, with its first pressure derivative \(K_{{\text{T}}}^{'}\) as 2.8(5) and 7.3(8), respectively. Furthermore, the KT was theoretically constrained (the GGA method) as 138(3) GPa for the Co2TiO4-CM and 196.8(14) GPa for the Co2TiO4-CT, with the \(K_{{\text{T}}}^{'}\) as 7.6(3) and 5.0(1), respectively. Consequently, the Co2TiO4-CM is ~ 12.3% denser than the Co2TiO4-Sp at ~ 21 GPa, whereas the Co2TiO4-CT is just ~ 0.8% denser than the Co2TiO4-CM at ~ 35 GPa. The spinel and post-spinel phase assemblages for the Co2TiO4 composition at some high T have been tentatively deduced as Co2TiO4-Sp, CoO-B1 (NaCl-type structure) + CoTiO3-Ilm (ilmenite-type structure), 2CoO-B1 + TiO2-α-PbO2 (α-PbO2-type structure), Co2TiO4-CM and Co2TiO4-CT, as P increases.

Keywords

Co2TiO4-CM Co2TiO4-CT Co2TiO4-Sp DFT calculation Diamond-anvil cell Equation of state High-P phase transition Synchrotron X-ray diffraction 

Notes

Acknowledgements

We thank two anonymous reviewers for their constructive comments on our manuscript, and Dr. T. Tsuchiya for his criticizing comments on and his editorial handling of our paper. The high-P work was performed at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation-Earth Sciences (EAR-1128799) and Department of Energy-GeoSciences (DE-FG02-94ER14466). Use of the COMPRES-GSECARS gas loading system was supported by COMPRES under NSF Cooperative Agreement EAR 11-57758 and by GSECARS through NSF Grant EAR-1128799 and DOE Grant DE-FG02-94ER14466. This research used resources of the Advanced Photon Source, a US 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. Financially, this study was supported by the Strategic Priority Research Program (B) of Chinese Academy of Sciences (Grant No. XDB18000000), by the DREAM project of MOST, China (Grant No. 2016YFC0600408), and by the Natural Sciences and Engineering Research Council of Canada.

Supplementary material

269_2019_1023_MOESM1_ESM.pdf (1.3 mb)
Supplementary material 1 (PDF 1299 KB)

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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • Yanyao Zhang
    • 1
    • 2
  • Xi Liu
    • 1
    • 2
    Email author
  • Sean R. Shieh
    • 3
  • Zhigang Zhang
    • 4
  • Xinjian Bao
    • 1
    • 2
  • Tianqi Xie
    • 3
  • Fei Wang
    • 1
    • 2
  • Clemens Prescher
    • 5
  • Vitali B. Prakapenka
    • 5
  1. 1.Key Laboratory of Orogenic Belts and Crustal Evolution, MOEPeking UniversityBeijingPeople’s Republic of China
  2. 2.School of Earth and Space SciencesPeking UniversityBeijingPeople’s Republic of China
  3. 3.Department of Earth SciencesUniversity of Western OntarioLondonCanada
  4. 4.Key Laboratory of Earth and Planetary Physics, Institute of Geology and GeophysicsChinese Academy of SciencesBeijingPeople’s Republic of China
  5. 5.Center for Advanced Radiation SourcesUniversity of ChicagoChicagoUSA

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