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布拉格衍射几何中不完美晶体的综合X射线散射强度中的动力学效应。I. 半动力学模型。

Dynamical effects in the integrated X-ray scattering intensity from imperfect crystals in Bragg diffraction geometry. I. Semi-dynamical model.

作者信息

Molodkin V B, Olikhovskii S I, Dmitriev S V, Nizkova A I, Lizunov V V

机构信息

G. V. Kurdyumov Institute for Metal Physics, NAS of Ukraine, 36 Academician Vernadsky Boulevard, Kyiv, UA-03142, Ukraine.

出版信息

Acta Crystallogr A Found Adv. 2020 Jan 1;76(Pt 1):45-54. doi: 10.1107/S2053273319014281.

DOI:10.1107/S2053273319014281
PMID:31908348
Abstract

The analytical expressions for the coherent and diffuse components of the integrated reflection coefficient are considered in the case of asymmetric Bragg diffraction geometry for a single crystal of arbitrary thickness, which contains randomly distributed Coulomb-type defects. The possibility to choose the combinations of diffraction conditions optimal for characterizing defects of several types by accounting for dynamical effects in the integrated coherent and diffuse scattering intensities, i.e. primary extinction and anomalous absorption, has been analysed based on the statistical dynamical theory of X-ray diffraction by imperfect crystals. The measured integrated reflectivity dependencies of the imperfect silicon crystal on azimuthal angle were fitted to determine the diffraction parameters characterizing defects in the sample using the proposed formulas in semi-dynamical and semi-kinematical approaches.

摘要

对于任意厚度、含有随机分布库仑型缺陷的单晶,在非对称布拉格衍射几何条件下,考虑了积分反射系数的相干分量和漫射分量的解析表达式。基于不完美晶体X射线衍射的统计动力学理论,分析了通过考虑积分相干散射强度和漫射散射强度中的动力学效应(即初级消光和反常吸收)来选择最适合表征几种类型缺陷的衍射条件组合的可能性。利用半动力学和半运动学方法中的公式,对测量得到的不完美硅晶体积分反射率随方位角的依赖关系进行拟合,以确定表征样品中缺陷的衍射参数。

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