High-accuracy measurement of mass attenuation coefficients and the imaginary component of the atomic form factor of zinc from 8.51 keV to 11.59 keV, and X-ray absorption fine structure with investigation of zinc theory and nanostructure,Journal of Synchrotron Radiation

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High-accuracy measurement of mass attenuation coefficients and the imaginary component of the atomic form factor of zinc from 8.51 keV to 11.59 keV, and X-ray absorption fine structure with investigation of zinc theory and nanostructure
Journal of Synchrotron Radiation ( IF 2.4 ) Pub Date : 2021-07-19 , DOI: 10.1107/s1600577521005981
Ruwini S K Ekanayake ₁ , Christopher T Chantler ₁ , Daniel Sier ₁ , Martin J Schalken ₁ , Alexis J Illig ₁ , Martin D de Jonge ₂ , Bernt Johannessen ₂ , Peter Kappen ₂ , Chanh Q Tran ₃

Affiliation

High-accuracy X-ray mass attenuation coefficients were measured from the first X-ray Extended Range Technique (XERT)-like experiment at the Australian Synchrotron. Experimentally measured mass attenuation coefficients deviate by ∼50% from the theoretical values near the zinc absorption edge, suggesting that improvements in theoretical tabulations of mass attenuation coefficients are required to bring them into better agreement with experiment. Using these values the imaginary component of the atomic form factor of zinc was determined for all the measured photon energies. The zinc K-edge jump ratio and jump factor are determined and results raise significant questions regarding the definitions of quantities used and best practice for background subtraction prior to X-ray absorption fine-structure (XAFS) analysis. The XAFS analysis shows excellent agreement between the measured and tabulated values and yields bond lengths and nanostructure of zinc with uncertainties of from 0.1% to 0.3% or 0.003 Å to 0.008 Å. Significant variation from the reported crystal structure was observed, suggesting local dynamic motion of the standard crystal lattice. XAFS is sensitive to dynamic correlated motion and in principle is capable of observing local dynamic motion beyond the reach of conventional crystallography. These results for the zinc absorption coefficient, XAFS and structure are the most accurate structural refinements of zinc at room temperature.

中文翻译：

通过锌理论和纳米结构的研究，高精度测量锌的质量衰减系数和 8.51 keV 至 11.59 keV 的原子形状因子的虚部，以及 X 射线吸收精细结构

高精度 X 射线质量衰减系数是从澳大利亚同步加速器的第一个类似 X 射线增程技术 (XERT) 的实验中测量出来的。实验测量的质量衰减系数与锌吸收边缘附近的理论值偏差约 50%，这表明需要改进质量衰减系数的理论表格以使其与实验更好地吻合。使用这些值，可以为所有测量的光子能量确定锌原子形状因子的虚部。锌K-边缘跳跃比和跳跃因子被确定，结果提出了关于所用数量的定义和在 X 射线吸收精细结构 (XAFS) 分析之前背景减除的最佳实践的重要问题。XAFS 分析显示测量值和列表值之间非常一致，并且产生了锌的键长和纳米结构，不确定度为 0.1% 至 0.3% 或 0.003 Å 至 0.008 Å。观察到与报道的晶体结构的显着变化，表明标准晶格的局部动态运动。XAFS 对动态相关运动敏感，原则上能够观察超出常规晶体学范围的局部动态运动。这些锌吸收系数、XAFS 和结构的结果是室温下锌的最准确的结构改进。

更新日期：2021-09-03

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