Synthesis of 6H-Type Hexagonal Perovskite Phase of BaGeO<sub>3</sub> at High Temperature and High Pressure

XIE Yafei; JIANG Changguo; LUO Xingli; TAN Dayong; XIAO Wansheng

doi:10.11858/gywlxb.20210761

Volume 35 Issue 5

Sep 2021

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Chinese Journal of High Pressure Physics > 2021 > 35(5): 051201.

XIE Yafei, JIANG Changguo, LUO Xingli, TAN Dayong, XIAO Wansheng. Synthesis of 6H-Type Hexagonal Perovskite Phase of BaGeO3 at High Temperature and High Pressure[J]. Chinese Journal of High Pressure Physics, 2021, 35(5): 051201. doi: 10.11858/gywlxb.20210761

Citation:

XIE Yafei, JIANG Changguo, LUO Xingli, TAN Dayong, XIAO Wansheng. Synthesis of 6H-Type Hexagonal Perovskite Phase of BaGeO₃ at High Temperature and High Pressure[J]. Chinese Journal of High Pressure Physics, 2021, 35(5): 051201. doi: 10.11858/gywlxb.20210761

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Synthesis of 6H-Type Hexagonal Perovskite Phase of BaGeO₃ at High Temperature and High Pressure

doi: 10.11858/gywlxb.20210761

XIE Yafei^{1, 2, 3, 4
,},
JIANG Changguo^{1, 2, 3, 4},
LUO Xingli^{1, 2, 3, 4},
TAN Dayong^{1, 2, 3},
XIAO Wansheng^{1, 2, 3,*
,
,}

1.
CAS Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640, Guangdong, China
2.
Guangdong Provincial Key Laboratory of Mineral Physics and Materials, Guangzhou 510640, Guangdong, China
3.
CAS Center for Excellence in Deep Earth Science, Guangzhou 510640, Guangdong, China
4.
University of Chinese Academy of Sciences, Beijing 100049, China

Received Date: 29 Mar 2021
Rev Recd Date: 14 Apr 2021

Abstract

Abstract

Barium germanate (BaGeO₃) was studied using double-sided laser-heating diamond anvil cell (LHDAC). At ambient conditions, BaGeO₃ has a pseudowollastonite structure. At about 12 GPa, BaGeO₃ crystal begin to translate into an amorphous phase. The amorphous BaGeO₃ was further pressurized to about 22 GPa and then heated at (1800 ± 200) K conditions. Raman spectra shows the amorphous BaGeO₃ transforms into a new high pressure phase, which has not been reported so far. The new high pressure phase of BaGeO₃ was further measured with the synchrotron radiation X-ray diffraction in the pressure ranges of 0−17.4 GPa. The diffraction patterns can be indexed with a 6H-type hexagonal perovskite structure and this structure remained stable as the pressure unloading to ambient pressure. In order to obtain the structural parameters of the new high pressure phase of BaGeO₃, the X-ray diffraction patterns of 17.4 GPa and ambient pressure were refined with a model structure of 6H-type perovskite using the Rietveld method. The experimental pressure-volume data was fitted with the second-order Birch-Murnaghan equation of state, and obtained the volume bulk modulus and zero-pressure unit-cell volume are K₀ = 150(2) GPa and V₀ = 373.0(3) A³ respectively. On the basis of the experimental results in this study, we also carried out the first-principle theoretical calculation on the 6H-type perovskite BaGeO₃. The calculated lattice constants and volume with the corresponding pressures are good agreement with the experimental results. Furthermore, the calculated volume bulk modulus and zero-pressure unit-cell volume are K₀ = 153(1) GPa, V₀ = 374.2(1) A³ respectively. The calculated Raman spectra at 20.0 GPa is also well consistent with the experimental results. This study not only complements the structural phase transition of pseudowallastonite BaGeO₃ at high temperature and high pressure, but also builds a solid foundation for further characterizing the physical and chemical properties of pseudowallastonite BaGeO₃, and gives a chance to develop the perovskite structured germanate functional materials. In addition, this study has an important indicative significance for us to understand the phase transition rule and stability of silicate perovskite, the physical and chemical properties and changes of Earth's lower mantle.
- BaGeO₃,
- 6H-type hexagonal perovskite phase,
- Rietveld structure refinement,
- Raman spectra,
- high temperature and high pressure

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References(33)

References

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Synthesis of 6H-Type Hexagonal Perovskite Phase of BaGeO₃ at High Temperature and High Pressure

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Synthesis of 6H-Type Hexagonal Perovskite Phase of BaGeO₃ at High Temperature and High Pressure