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$$q$$=0 long-range magnetic order in centennialite CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O; A Spin-$$frac{1}{2}$$ perfect kagome antiferromagnet with $$J_{1}$$-$$J_{2}$$-$$J_{d}$$

Iida, Kazuki*; Yoshida, Hiroyuki*; Nakao, Akiko*; Jeschke, H. O.*; Iqbal, Y.*; Nakajima, Kenji  ; Kawamura, Seiko   ; Munakata, Koji*; Inamura, Yasuhiro  ; Murai, Naoki  ; Ishikado, Motoyuki*; Kumai, Reiji*; Okada, Takehisa*; Oda, Migaku*; Kakurai, Kazuhisa*; Matsuda, Masaaki*

Crystal and magnetic structures of the mineral centennialite CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O are investigated by means of synchrotron X-ray diffraction and neutron diffraction measurements complemented by density functional theory (DFT) and pseudofermion functional renormalization group (PFFRG) calculations. In CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O, Cu$$^{2+}$$ ions form a geometrically perfect kagome network with antiferromagnetic $$J_{1}$$. No intersite disorder between Cu$$^{2+}$$ and Ca$$^{2+}$$ ions is detected. CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O enters a magnetic long-range ordered state below $$T_{rm N}$$ = 7.2 K, and the $$q$$=0 magnetic structure with negative vector spin chirality is obtained. The ordered moment at 0.3 K is suppressed to 0.58(2)$$mu$$B. Our DFT calculations indicate the presence of antiferromagnetic $$J_{2}$$ and ferromagnetic $$J_{d}$$ superexchange couplings of a strength which places the system at the crossroads of three magnetic orders (at the classical level) and a spin-$$frac{1}{2}$$ PFFRG analysis shows a dominance of $$q$$=0 type magnetic correlations, consistent with and indicating proximity to the observed $$q$$=0 spin structure. The results suggest that this material is located close to a quantum critical point and is a good realization of a $$J_{1}$$-$$J_{2}$$-$$J_{d}$$ kagome antiferromagnet.

Language

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English

Journal

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Physical Review B

Volume

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101

Number

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22

Pages

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p.220408_1 - 220408_6

Publication Year/Month

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2020/06

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Held date

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Patent information

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PDF

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Paper URL

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https://doi.org/10.1103/PhysRevB.101.220408

DOI for research data

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Link to research data related to this paper/report.

Keywords

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J-PARC; AMATERAS; 中性子散乱; 物質・生命科学実験施設; 量子スピン; カゴメ格子

Research Facility

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J-PARC物質・生命科学実験施設  

Press Release

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Article of JAEA R&D Review

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Cooperating Institute

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Accesses

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- Accesses

InCites™

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Percentile:79.61

Category:Materials Science, Multidisciplinary

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