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Synthesis, Structure, and Properties of the Layered Oxyselenide Ba2CuO2Cu2Se2
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    Synthesis, Structure, and Properties of the Layered Oxyselenide Ba2CuO2Cu2Se2
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    • Wenmin Li
      Wenmin Li
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      More by Wenmin Li
    • Zhaoming Fu
      Zhaoming Fu
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      More by Zhaoming Fu
    • Xiancheng Wang*
      Xiancheng Wang
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      *E-mail: [email protected] (X.W.).
    • Jun Zhang
      Jun Zhang
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      More by Jun Zhang
    • Min Liu
      Min Liu
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      More by Min Liu
    • Jianfa Zhao
      Jianfa Zhao
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      More by Jianfa Zhao
    • Meiling Jin
      Meiling Jin
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      More by Meiling Jin
    • Guoqiang Zhao
      Guoqiang Zhao
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
    • Guangyang Dai
      Guangyang Dai
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
    • Zheng Deng
      Zheng Deng
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      More by Zheng Deng
    • Sijia Zhang
      Sijia Zhang
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      More by Sijia Zhang
    • Shaomin Feng
      Shaomin Feng
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      More by Shaomin Feng
    • Zhiwei Hu
      Zhiwei Hu
      Max Plank Institute for Chemical Physics of Solids, Nöthnitzer Strasse 40, D-01187 Dresden, Germany
      More by Zhiwei Hu
    • Qingzhen Huang
      Qingzhen Huang
      Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-6102, United States
    • Hongji Lin
      Hongji Lin
      National Synchrotron Radiation Research Center (NSRRC), 101 Hsin-Ann Road, Hsinchu 30076, Taiwan
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    • Chien-Te Chen
      Chien-Te Chen
      National Synchrotron Radiation Research Center (NSRRC), 101 Hsin-Ann Road, Hsinchu 30076, Taiwan
    • Yifeng Yang*
      Yifeng Yang
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      Collaborative Innovation Center of Quantum Matter, Beijing 100190, China
      *E-mail: [email protected] (Y.Y.).
      More by Yifeng Yang
    • Changqing Jin*
      Changqing Jin
      Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
      School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
      Collaborative Innovation Center of Quantum Matter, Beijing 100190, China
      *E-mail: [email protected] (C.J.).
    Other Access OptionsSupporting Information (1)

    Inorganic Chemistry

    Cite this: Inorg. Chem. 2018, 57, 9, 5108–5113
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    https://doi.org/10.1021/acs.inorgchem.8b00171
    Published April 9, 2018
    Copyright © 2018 American Chemical Society

    Abstract

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    A new layered oxyselenide, Ba2CuO2Cu2Se2, was synthesized under high-pressure and high-temperature conditions and was characterized via structural, magnetic, and transport measurements. It crystallizes into space group I4/mmm and consists of a square lattice of [CuO2] planes and antifluorite-type [Cu2Se2] layers, which are alternately stacked along the c axis. The lattice parameters are obtained as a = b = 4.0885 Å and c = 19.6887 Å. The Cu–O bond length is given by half of the lattice constant a, i.e., 2.0443 Å. Ba2CuO2Cu2Se2 is a semiconductor with a resistivity of ∼18 mΩ·cm at room temperature. No magnetic transition was found in the measured temperature range, and the Curie–Weiss temperature was obtained as −0.2 K, suggesting a very weak exchange interaction. The DFT+Ueff calculation demonstrates that the band gap is about 0.2 eV for the supposed antiferromagnetic order, and the density of state near the top of the valence band is mainly contributed from the Se 4p electrons.

    Copyright © 2018 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.inorgchem.8b00171.

    • Crystallographic parameters (Tables S1 and S2) and XRD data (Figure S1) (PDF)

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    Cited By

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    This article is cited by 6 publications.

    1. Jack N. Blandy, Shuai Liu, Catherine F. Smura, Simon J. Cassidy, Daniel N. Woodruff, John E. McGrady, Simon J. Clarke. Synthesis, Structure, and Properties of the Layered Oxide Chalcogenides Sr2CuO2Cu2S2 and Sr2CuO2Cu2Se2. Inorganic Chemistry 2018, 57 (24) , 15379-15388. https://doi.org/10.1021/acs.inorgchem.8b02698
    2. Zahida Malik, Sarah Broadley, Sebastian J. C. Herkelrath, Daniel W. Newbrook, Liam Kemp, George Rutt, Zoltán A. Gál, Jack N. Blandy, Joke Hadermann, Daniel W. Davies, Robert D. Smyth, David O. Scanlon, Ruomeng Huang, Simon J. Clarke, Geoffrey Hyett. Observation and enhancement through alkali metal doping of p-type conductivity in the layered oxyselenides Sr 2 ZnO 2 Cu 2 Se 2 and Ba 2 Zn 1− x O 2− x Cu 2 Se 2. Journal of Materials Chemistry C 2024, 12 (43) , 17574-17586. https://doi.org/10.1039/D4TC02458C
    3. Yueyang Yang, Zhifang Zhou, Bin Wei, Junyan Liu, Jin‐Le Lan, Mingchu Zou, Yushuai Xu, Yunpeng Zheng, Ce‐Wen Nan, Yuan‐Hua Lin. Thermoelectric properties of layered oxyselenides with 3d transition metal ions. Journal of the American Ceramic Society 2023, 106 (5) , 2918-2929. https://doi.org/10.1111/jace.18955
    4. Xiuquan Zhou, Venkata Surya Chaitanya Kolluru, Wenqian Xu, Luqing Wang, Tieyan Chang, Yu-Sheng Chen, Lei Yu, Jianguo Wen, Maria K. Y. Chan, Duck Young Chung, Mercouri G. Kanatzidis. Discovery of chalcogenides structures and compositions using mixed fluxes. Nature 2022, 612 (7938) , 72-77. https://doi.org/10.1038/s41586-022-05307-7
    5. Yueyang Yang, Jian Han, Zhifang Zhou, Mingchu Zou, Yushuai Xu, Yunpeng Zheng, Ce‐Wen Nan, Yuan‐Hua Lin. Seeking New Layered Oxyselenides with Promising Thermoelectric Performance. Advanced Functional Materials 2022, 32 (18) https://doi.org/10.1002/adfm.202113164
    6. Wenqi Zhou, Shuwei Li, Shuxiang Wu. Magnetic and electronic properties of layered Sr2NiO2Cl2 with square planar coordination. Journal of Magnetism and Magnetic Materials 2020, 514 , 167195. https://doi.org/10.1016/j.jmmm.2020.167195

    Inorganic Chemistry

    Cite this: Inorg. Chem. 2018, 57, 9, 5108–5113
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.inorgchem.8b00171
    Published April 9, 2018
    Copyright © 2018 American Chemical Society

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