论文标题
评论“巨大的压力引起的氟化扫描剂的软化”
Comment on "Colossal Pressure-Induced Softening in Scandium Fluoride"
论文作者
论文摘要
Wei等人报告的结果。 [物理。莱特牧师。 124，255502（2020）]可以面对预测性的，负热膨胀（NTE）和压力诱导的软化理论，从而使某些方法佐证或无效。积极的动机来证实最近的库仑软骨网络（CFN）微观理论的振动和热机械特性理论的定量预测[tkachenko and zaliznyak，arxiv：arxiv：1908.11643（2019）（2019年）]，我们比较了均值的$ suntripe $ quastersement properse pysement pressect use $ n e $。在Wei等人的图5中报道了这一点。并观察到明显的差异（比误差栏大的标记级）。然后，我们将这些结果与Greve等人先前发表的X射线衍射数据进行了比较。 [JACS 132，15496（2010）]和Wendt等人的中子衍射数据。 [科学进步5（2019），10.1126/sciadv.aay2748]。我们发现后两个数据集彼此之间达成了很好的一致性，以及CFN理论的预测。因此，我们得出的结论是，Wei等人的图5中报告的U $ _ {perp} $值。基本不正确。此评论的目的是双重的：（i）警告研究人员不要使用Wei等人的U $ _ {perp} $数据。为了与理论进行定量比较，以及（ii）鼓励Wei等。重新考虑他们的分析，并通过更好地考虑光束传输和衰减效果来获得可靠的u $ _ {perp} $数据。
The results reported by Wei et al. [Phys. Rev. Lett. 124, 255502 (2020)] can be confronted with predictive, quantitative theories of negative thermal expansion (NTE) and pressure-induced softening, allowing to corroborate, or invalidate certain approaches. Motivated to corroborate the quantitative predictions of the recent Coulomb Floppy Network (CFN) microscopic theory of vibrational and thermomechanical properties of empty perovskite crystals [Tkachenko and Zaliznyak, arXiv:1908.11643 (2019)], we compared theory prediction for the mean-squared transverse displacement of the F atoms, U$_{perp}$, with that reported in Fig. 5 of Wei et al. and observed a marked discrepancy (an order-of-magnitude larger than the error bar). We then compared these results with the previously published Xray diffraction data of Greve, et al. [JACS 132, 15496 (2010)] and the neutron diffraction data of Wendt, et al. [Science Advances 5 (2019), 10.1126/sciadv.aay2748]. We found the latter two data sets to be in a good agreement with each other, as well as with the prediction of CFN theory. We thus conclude that U$_{perp}$ values reported in Fig. 5 of Wei et al. are substantially incorrect. The purpose of this Comment is twofold: (i) to caution the researchers against using the U$_{perp}$ data of Wei et al. for quantitative comparisons with theory, and (ii) to encourage Wei et al. to reconsider their analysis and obtain a reliable U$_{perp}$ data by better accounting for the beam transmission and attenuation effects.
