Crystal Structure of NaOsO<sub>3</sub> under High Pressure Determined by Single Crystal X-ray Diffraction

ORAL

Abstract

The 5d transition metal oxide NaOsO3 attracts many attentions due to its metal-insulator transition, the origin of which is still under debate [1-3]. At ambient condition, NaOsO3 crystallizes into an orthorhombic perovskite structure (Pbnm; a = 5.32817 Å, b = 5.38420 Å, c = 7.58038 Å). A high-pressure structural study was performed on polycrystalline NaOsO3, which reported a highly unusual phase transition from nonpolar phase (Pbnm) to polar phase (Pna21) at ~18 GPa [4]. Motivated by this report, we conducted the single-crystal synchrotron XRD measurement at high pressures up to 40 GPa and analyze the pressure effect on the crystal structure of NaOsO3. Pressure enlarges the orthorhombic distortion, i.e. splitting the lattice parameters a, b, and c/, shown in figure 1. The single-crystal diffraction data of NaOsO3 can be refined reasonably well with the Pbnm (No. 62) structural model up to ~40 GPa. In this talk, we will also compare the pressure effect on the orthorhombic perovskite NaOsO3 with other 3d and 4d orthorhombic perovskite compounds.

[1] Y. G. Shi, Y. F. Guo, S. Yu, M. Arai, A. A. Belik, A. Sato, K. Yamaura, E. Takayama-Muromachi, H. F. Tian, H. X. Yang, J. Q. Li, T. Varga, J. F. Mitchell, and S. Okamoto, Continuous metal-insulator transition of the antiferromagnetic perovskite NaOsO3, Phys. Rev. B. 80, 161104 (2009).

[2] S. Calder, V. O. Garlea, D. F. McMorrow, M. D. Lumsden, M. B. Stone, J. C. Lang, J. W. Kim, J. A. Schlueter, Y. G. Shi, K. Yamaura, Y. S. Sun, Y. Tsujimoto, and A. D. Christianson, Magnetically Driven Metal-Insulator Transition in NaOsO3, Phys. Rev. Lett. 108, 257209 (2012).

[3] J. G. Vale, S. Calder, C. Donnerer, D. Pincini, Y. G. Shi, Y. Tsujimoto, K. Yamaura, M. M. Sala, J. van den Brink, A. D. Christianson, and D. F. McMorrow, Evolution of the Magnetic Excitations in NaOsO3 through its Metal-Insulator Transition, Phys. Rev. Lett. 120, 227203 (2018).

[4] R. Sereika, P. Liu, B. Kim, S. Kim, J. Zhang, B. Chen, K. Yamaura, C. Park, C. Franchini, Y. Ding, and H.-k. Mao, Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3, npj Quantum Mater. 5, 66 (2020).

*This research was primarily supported by the National Science Foundation through the Center for Dynamics and Control of Materials: an NSF MRSEC under Cooperative Agreement No. DMR-1720595.

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Presenters

  • Jie Chen

    • University of Texas at Austin

Authors

  • Jie Chen

    • University of Texas at Austin

  • Yanyao Zhang

    • Department of Geological Sciences, Jackson School of Geosciences, The University of Texas at Austin, Austin, TX 78712, USA

  • Jiaming He

    • University of Texas at Austin

  • Stella Chariton

    • Center for Advanced Radiation Sources, University of Chicago
    • Center for Advanced Radiation Sources, The University of Chicago, IL 60637, USA
    • GSECARS

  • Jung-Fu Lin

    • Jackson School of Geosciences, The University of Texas at Austin
    • The University of Texas at Austin
    • Department of Geological Sciences, Jackson School of Geosciences, The University of Texas at Austin, Austin, TX 78712, USA

  • Kazunari Yamaura

    • International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan

  • Jianshi Zhou

    • University of Texas at Austin
    • The University of Texas at Austin
    • University of Texas