Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite

Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite
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反铁磁天然矿物斜方铁矿中的量子自旋涨落和氢键网络

DOI:
10.1103/physrevmaterials.5.104405
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发表时间:
2021
影响因子:
3.4
通讯作者:
and H. Kimura
and H. Kimura
中科院分区:
材料科学3区
文献类型:
--
作者:
H. Yamamoto;T. Sakakura;H.O. Jeschke;N. Kabeya;K. Hayashi;Y. Ishikawa;Y. Fujii;S. Kishimoto;H. Sagayama;K. Shigematsu;M. Azuma;A. Ochiai;Y. Noda;and H. Kimura

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黄硅钙石{}是一种蓝色的钙铜硼酸盐矿物,仅在日本冈山县的富卡矿中发现。晶体结构的细化,磁性和比热测量,密度泛函理论(DFT)计算进行澄清其磁性。同步辐射X射线衍射实验表明,氢键链以反铁电方式排列,使晶胞沿着轴加倍。在0.2K零磁场下观察到反铁磁转变。此外,在温度-磁场相图中存在一个圆顶形的反铁磁有序区,表明存在量子自旋涨落。结合DFT计算得到的晶体结构表明,该系统具有耦合的两个腿的梯形磁晶格,解释了非常低的有序温度。
Henmilite {} is a blue calcium copper borate mineral found only in the Fuka mine, Okayama Prefecture, Japan. Crystal structure refinement, magnetic and specific heat measurements, and density functional theory (DFT) calculations are performed to clarify its magnetic properties. Synchrotron x-ray diffraction experiments reveal that the hydrogen-bonded chains are arranged in an antiferroelectric manner, doubling the unit cell along theaxis. An antiferromagnetic transition is observed at 0.2 K at zero magnetic field. Furthermore, a dome-shaped antiferromagnetic ordering region exists in the temperature–magnetic-field phase diagram, indicating the presence of quantum spin fluctuations. The obtained crystal structure in combination with DFT calculations suggests that the system has a coupled two-leg ladder magnetic lattice, explaining the very low ordering temperature.
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