Structure factors of the kagome-lattice Heisenberg antiferromagnets at finite temperatures
Source abstract
Abstract
We compute the real-space spin correlations and frequency and wave-vector resolved dynamic structure factors $S(\stackrel{P\vec}{q},\ensuremath{\omega})$ 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 ${\mathrm{ZnCu}}3{(\mathrm{OH})}6{\mathrm{Cl}}2$. However, the calculated properties differ from the low temperature $(T\ensuremath{\approx}J/100)$ 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.
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Research context
OpenAlex topics: Advanced Condensed Matter Physics · Physics of Superconductivity and Magnetism · Theoretical and Computational Physics
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (34)
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