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X-ray Crystallography

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

$X-ray Diffraction of Biological Samples$ 01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...

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Related Experiment Video

Updated: Jun 28, 2025

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Published on: July 17, 2020

X-ray diffraction from dislocation half-loops in epitaxial films.

Vladimir M Kaganer¹

¹Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5-7, 10117 Berlin, Germany.

Journal of Applied Crystallography

|April 10, 2024

Summary

This summary is machine-generated.

Monte Carlo simulations reveal how X-ray diffraction patterns from dislocation half-loops are shaped by the ratio of misfit and threading segments. This provides insights into defect structures in epitaxial films.

Keywords:

epitaxial films misfit dislocations strain relaxation threading dislocations

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Last Updated: Jun 28, 2025

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Area of Science:

Materials Science
Solid State Physics
Crystallography

Background:

Dislocation half-loops, comprising misfit and threading segments, are critical defects in epitaxial films.
Understanding their impact on X-ray diffraction is essential for materials characterization.

Purpose of the Study:

To calculate X-ray diffraction from dislocation half-loops using the Monte Carlo method.
To investigate how the geometry of dislocation half-loops influences diffraction profiles and reciprocal space maps.

Main Methods:

Monte Carlo simulations were employed to model X-ray diffraction.
Analysis focused on diffraction profiles and reciprocal space maps.

Main Results:

The ratio of misfit to threading segment lengths significantly controls diffraction characteristics.
A continuous transformation in diffraction patterns was observed with increasing epitaxial film thickness.
The contributions of edge- and screw-type threading arms to diffraction were compared.

Conclusions:

The study provides a method for analyzing dislocation structures in epitaxial films via X-ray diffraction.
The findings link macroscopic diffraction features to microscopic defect geometry.