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X-ray Crystallography

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Related Experiment Video

Updated: Jul 8, 2025

$Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography$

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron

Romy Poppe¹, Nikolaj Roth², Reinhard B Neder³

¹University of Antwerp, Department of Physics, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.

|December 14, 2023

Summary

This summary is machine-generated.

This study compares short-range order in Nb0.84CoSb using X-ray and electron diffraction. Electron diffraction enables analysis of smaller crystals, expanding possibilities for studying technologically relevant materials.

Keywords:

3D difference pair distribution functions 3D electron diffraction 3D-ΔPDF 3DED single-crystal diffuse scattering

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Area of Science:

Materials Science
Crystallography
Solid State Physics

Background:

Short-range order (SRO) describes the local atomic arrangement in crystalline materials.
Refining SRO parameters is crucial for understanding material properties and defects.
Traditional methods like single-crystal X-ray diffraction (SCXRD) require relatively large crystals.

Purpose of the Study:

To compare the refinement of SRO parameters from diffuse scattering using single-crystal X-ray diffraction (SCXRD) and single-crystal electron diffraction (SCED).
To investigate the potential of SCED for SRO analysis in materials unsuitable for SCXRD due to small crystal size.

Main Methods:

Utilized Nb0.84CoSb as a reference material for comparative analysis.
Employed Monte Carlo refinement in DISCUS software to analyze diffuse scattering data.
Compared atomic displacements of Sb and Co refined from diffuse scattering versus Bragg reflections in both SCXRD and SCED.

Main Results:

Successfully refined SRO parameters from diffuse scattering in both SCXRD and SCED.
Observed minor differences in Sb and Co atomic displacements between diffuse scattering and Bragg reflection refinements (0.012(7) Å for SCXRD, 0.03(2) Å for SCED).
Demonstrated that SCED can analyze SRO in significantly smaller crystals compared to SCXRD.

Conclusions:

SCED offers a viable alternative to SCXRD for refining SRO parameters, especially when crystal size is a limitation.
This technique broadens the scope for investigating SRO in technologically important materials.
The findings pave the way for enhanced understanding and design of novel materials.