中国物理B ›› 2021, Vol. 30 ›› Issue (4): 46102-.doi: 10.1088/1674-1056/abe0c8

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  • 收稿日期:2020-12-30 修回日期:2021-01-22 接受日期:2021-01-28 出版日期:2021-03-16 发布日期:2021-03-16

X-ray absorption investigation of the site occupancies of the copper element in nominal Cu3Zn(OH)6FBr

Ruitang Wang(王瑞塘)1,2, Xiaoting Li(李效亭)3, Xin Han(韩鑫)1,2, Jiaqi Lin(林佳琪)1,2, Yong Wang(王勇)4, Tian Qian(钱天)1,5, Hong Ding(丁洪)1,5, Youguo Shi(石友国)1,2, and Xuerong Liu(柳学榕)3,†   

  1. 1 Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China; 2 University of Chinese Academy of Sciences, Beijing 100049, China; 3 School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China; 4 Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; 5 Songshan Lake Materials Laboratory, Dongguan 250100, China
  • Received:2020-12-30 Revised:2021-01-22 Accepted:2021-01-28 Online:2021-03-16 Published:2021-03-16
  • Contact: †Corresponding author. E-mail: liuxr@shanghaitech.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11934017 and 11774399), the Key Research and Development Program of China (Grant No. 2016YFA0401000), the Chinese Academy of Sciences (Grant No. 112111KYSB20170059), and the K. C. Wong Education Foundation (Grant No. GJTD-2018-01).

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Abstract: With Zn substitution to the three-dimensional antiferromagnetically ordered barlowite Cu4(OH)6FBr, Cu3Zn(OH)6FBr shows no magnetic phase transition down to 50 mK, and the system is suggested to be a two-dimensional kagomé quantum spin liquid [Chin. Phys. Lett. 34 077502 (2017)]. A key issue to identify such phase diagram is the exact chemical formula of the substituted compound. With Cu L-edge x-ray absorption spectrum (XAS) combined with the MultiX XAS calculations, we evaluate the Cu concentration in a nominal Cu3Zn(OH)6FBr sample. Our results show that although the Cu concentration is 2.80, close to the expected value, there is 34% residual Cu occupation in intersite layers between kagomé layers. Thus the Zn substitution of the intersite layers is not complete, and likely it intrudes the kagomé layers.

Key words: x-ray absorption spectrum, barlowite spin liquid candidate, chemical occupations

中图分类号:  (X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.)

  • 61.05.cj
75.10.Kt (Quantum spin liquids, valence bond phases and related phenomena) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 61.50.Nw (Crystal stoichiometry)