Dynamical effects in Bragg coherent x-ray diffraction imaging on finite crystals

Abstract

We present simulations of Bragg Coherent X-ray Diffractive Imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range of x-ray diffraction experiments with finite three-dimensional crystals of arbitrary shape also in the presence of strain. We performed simulations for nanocrystals of a cubic and hemispherical shape of different sizes and provided a detailed analysis of artifacts in the Bragg CXDI reconstructions introduced by the dynamical diffraction. A convenient way to treat effects of refraction and absorption supported by analytical derivations is described. Our results elucidate limitations for the kinematical approach in the Bragg CXDI and suggest a natural criterion to distinguish between kinematical and dynamical cases in coherent x-ray diffraction on a finite crystal.

arXiv comment39 pages, 12 figures

References in corpus (5)

• Coherent methods in the X-ray sciences
• Theory and Applications of X-ray Standing Waves in Real Crystals
• Revealing three-dimensional structure of individual colloidal crystal grain by coherent x-ray diffractive imaging
• Chrono CDI: Coherent diffractive imaging of time-evolving samples
• Phase of the transmitted wave in the dynamical theory and quasi-kinematical approximation

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• Imaging ultrafast dynamical diffraction wavefronts in strained Si with coherent X-rays
• Unveiling Nano-scale Crystal Deformation using Coherent X-ray Dynamical Diffraction
• Intrinsic Spatial Resolution Limit in Analyzer-Based X-Ray Phase Contrast Imaging Technique