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Pressure-induced structural transition and metallization in MnSe2

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Abstract

The high-pressure behavior of manganese diselenide MnSe2 was investigated by synchrotron angle-dispersive X-ray diffraction (ADXRD) and infrared reflection spectroscopy equipped with a diamond-anvil cell. It was found that MnSe2 with a pyrite-type structure undergoes a transformation into a disordered intermediate phase at ~ 12.5 GPa, with a ground state composed of an arsenopyrite-type structure, as confirmed by laser-heating treatment. The pyrite to arsenopyrite phase transition was found to be coupled to a large collapse in the unit-cell volume (∆V ~ 19%) and an electronic transition from a high-spin to low-spin state for manganese cations (Mn2+). With a fixed value for the pressure derivation of the bulk modulus K' = 4, fitting of the pressure–volume data to a second-order Birch–Murnaghan equation of state yielded isothermal bulk modulus values of K0 = 56.1(9) GPa and K0 = 93.1(4) GPa for the pyrite-type and arsenopyrite-type phases, respectively. The measured infrared reflectivity (Rsd) for MnSe2 showed a drastic increase at pressures between 13 and 20 GPa, but became insensitive to pressure under further compression, implying a pressure-induced transition from an insulator to metallic state.

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Acknowledgements

We would like to thank Prof. T. Tsuchiya for his editorial handling and valued suggestions. Constructive comments and suggestions of two anonymous reviewers greatly helped to improve the manuscript and are sincerely acknowledged. High-pressure XRD experiments were carried out at the BL15U1 beamline of Shanghai Synchrotron Radiation Facility (SSRF) and the 4W2 High Pressure Beamline of Beijing Synchrotron Radiation Facility (BSRF), respectively. This research was financially supported by the Strategic Priority Research Program (B) of the Chinese Academy of Sciences (Grant No. XDB18000000) and the National Natural Science Foundation of China (Grants No. 41874107, 41574079, 41174072). This is contribution No. IS-2903 from GIGCAS.

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Authors and Affiliations

  1. State Key Laboratory of Isotope Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou, 510640, China

    Baoyun Wang, Xiaoning Wang, Simeng Wang & Maoshuang Song

  2. College of Earth and Planetary Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China

    Baoyun Wang, Xiaoning Wang & Simeng Wang

  3. Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou, 510640, China

    Dayong Tan & Wansheng Xiao

  4. Key Laboratory of High Temperature and High Pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, 550081, China

    Wen Liang

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  1. Baoyun Wang
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Wang, B., Wang, X., Wang, S. et al. Pressure-induced structural transition and metallization in MnSe2. Phys Chem Minerals 47, 41 (2020). https://doi.org/10.1007/s00269-020-01111-9

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