Reciprocal-space mapping calculations of X-ray Laue diffraction in a crystal with thermomigration channels

IF 5.2 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Applied Crystallography Pub Date : 2025-02-01 DOI:10.1107/S1600576724012366

Vasily Punegov

引用次数: 0

Abstract

X-ray diffraction in a crystal with lattice strains is studied theoretically using two-dimensional recurrence relations in Laue geometry. Based on these relations, an algorithm for calculating the coherent scattering intensity near a reciprocal-lattice node is developed. Simulation of reciprocal-space mapping was performed for a model of a silicon crystal with Si(Al) thermomigration channels. The change in reciprocal-space maps is shown depending on the strain magnitude in the channel and scanning of the X-ray beam along the input surface of the crystal.

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热迁移通道晶体中x射线劳厄衍射的互向空间映射计算

利用劳厄几何中的二维递推关系，对晶格应变晶体中的x射线衍射进行了理论研究。基于这些关系，提出了一种计算互格节点附近相干散射强度的算法。对具有Si（Al）热迁移通道的硅晶体模型进行了互向空间映射模拟。往复空间图的变化取决于通道中的应变大小和x射线束沿着晶体输入表面的扫描。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Applied Crystallography CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

7.80

自引率

3.30%

发文量

178

期刊介绍： Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.