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Structure factors of the kagome-lattice Heisenberg antiferromagnets at finite temperatures

机译：有限温度下kagome-lattice海森堡反铁磁体的结构因子

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摘要

We compute the real-space spin correlations and frequency and wave-vector resolved dynamic structure factors S(q,ω) for the nearest-neighbor kagome-lattice Heisenberg model (KLHM) at finite temperatures using the numerical linked cluster expansion (NLCE) method. A triangle-based NLCE is used to calculate frequency moments of the dynamic structure factors in the thermodynamic limit, which show excellent convergence for T > J/4. A Gaussian approximation and the fluctuation-dissipation relation are used to reconstruct the frequency dependence. We find that some features of the low temperature KLHM structure factors begin to set in at temperatures of order J. Our results are in very good agreement with powder diffraction measurements reported earlier on the Herbertsmithite materials ZnCu_3(OH)_6Cl_2. However, the calculated properties differ from the low temperature (T≈J/100) experimental measurements in one important regard. In line with the experimental observations, the spectral weight has a diffuse nature, which is predominantly spread along the extended Brillouin-zone boundary. However, the maximum intensity is found in our calculations to be at the K point of the extended Brillouin zone in contrast to the low temperature experiments, where it is at the M point. We suggest that experiments should be done at various temperatures to look for such a crossover of the maximum from the K point to the M point. In the absence of such a crossover, the Herbertsmithite materials must differ from KLHM in a significant manner.
机译：我们使用数值链簇展开（NLCE）方法计算有限温度下最邻近的Kagome-lattice Heisenberg模型（KLHM）的实空间自旋相关性以及频率和波矢量解析的动态结构因子S（q，ω） 。基于三角形的NLCE用于计算热力学极限内的动态结构因子的频率矩，对于T> J / 4，它表现出出色的收敛性。使用高斯近似和涨落-耗散关系来重构频率依赖性。我们发现，低温KLHM结构因子的某些特征在J阶温度下开始出现。我们的结果与先前报道的对Herbertsmithite材料ZnCu_3（OH）_6Cl_2的粉末衍射测量结果非常吻合。但是，计算出的特性在一个重要方面与低温（T≈J/ 100）实验测量值不同。与实验观察一致，频谱权重具有弥散性，主要沿扩展的布里渊区边界扩散。但是，在我们的计算中发现最大强度在扩展的布里渊区的K点处，而低温实验则在M点处。我们建议应该在各种温度下进行实验，以寻找从K点到M点的最大值的交叉点。在没有这种交叉的情况下，赫伯铁矿石的材料必须与KLHM有很大的不同。

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  • 来源
    《Physical review》 |2018年第1期|014423.1-014423.7|共7页
  • 作者

    Nicholas E. Sherman; Rajiv R. R Singh;

  • 作者单位

    Department of Physics, University of California Davis, California 95616, USA;

    Department of Physics, University of California Davis, California 95616, USA;

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