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    Reexamination of the charge-ordered dimer pattern in the spinel compound CuIr2S4 using single-crystal synchrotron x-ray diffraction

    T. Ohashi1, N. Katayama1,*, K. Kojima2, M. Emi1, C. Koyama1, T. Hara1, K. Hashimoto3, S. Kitani3, H. Kawaji3 et al.

    H. S. Suzuki2, S. Nagata4, K. Sugimoto5, K. Iida6, and H. Sawa1

    • 1Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan
    • 2The Insitute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Japan
    • 3Materials and Structures Laboratory, Institute of Science Tokyo, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8503, Japan
    • 4Department of Materials Science and Engineering, Muroran Institute of Technology, Mizumoto-cho, Muroran, Hokkaido 050-8585, Japan
    • 5Department of Physics, Keio University, Kohoku-ku, Yokohama, Kanagawa 223-8522, Japan
    • 6Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki 319-1106, Japan

    • *Contact author: katayama.naoyuki.m5@f.mail.nagoya-u.ac.jp

    Phys. Rev. B 111, 224114 – Published 23 June, 2025

    DOI: https://doi.org/10.1103/17dl-88q7

    Abstract

    We have reinvestigated the crystal structure of a spinel-type CuIr2S4 at low temperatures using a single crystal in a synchrotron radiation x-ray diffraction experiment. The crystal structure of the low-temperature phase of CuIr2S4 has been already studied by diffraction experiments using a powder sample, and it has been reported that the formation of dimer molecules accompanied by charge ordering of Ir has been achieved. The crystal structure of the low-temperature phase obtained in our reanalysis was the same as the previously reported structure in that it showed the formation of Ir dimers accompanied by charge ordering, but the charge-ordering pattern and arrangement of the dimers in the unit cell were different. We will discuss the validity of the structure obtained in this study and provide the structural parameters revealed in the reanalysis. The results of this study should provide a basis for further studies of the physical properties of CuIr2S4, which are still being actively investigated.

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