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GenL: an extensible fitting program for Laue oscillations and whole-pattern fitting.

Anna L Ravensburg¹, Johan Bylin¹, Vassilios Kapaklis¹

¹Department of Physics and Astronomy Uppsala University Box 516 SE-75120 Uppsala Sweden.

Journal of Applied Crystallography

|June 3, 2026

Summary

This summary is machine-generated.

GenL is a flexible software tool for simulating and fitting X-ray diffraction and reflectivity data from epitaxial thin films. It offers advanced fitting capabilities and can extract key structural parameters for thin film analysis.

Keywords:

GenL Laue oscillations X-ray diffraction X-ray reflectivity computer programs differential-evolution algorithms epitaxial thin films genetic algorithms whole-pattern fitting

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Area of Science:

Materials Science
Condensed Matter Physics
Crystallography

Background:

Epitaxial thin films are crucial in various technological applications.
Accurate characterization of thin film structure is essential for performance optimization.
Existing software may lack flexibility or comprehensive analysis capabilities for X-ray scattering data.

Purpose of the Study:

To introduce GenL, a versatile software program for simulating and fitting X-ray reflectivity (XRR) and X-ray diffraction (XRD) data.
To provide a tool that accounts for various physical effects influencing scattering data.
To enable the extraction of critical structural parameters from epitaxial thin films.

Main Methods:

Utilizes differential evolution within a genetic algorithm for data fitting.
Employs a modular approach based on kinematic or dynamic diffraction theories.
Incorporates effects of polarization, absorption, Lorentz factor, instrumental resolution, and lattice vibrations.

Main Results:

GenL can simulate and fit XRR and XRD data from epitaxial thin films, including those exhibiting Laue oscillations.
Extracted parameters include atomic interplanar spacings, number of coherently scattering atomic planes, strain profiles, and crystal roughness.
The software features a graphical user interface and is developed in MATLAB.

Conclusions:

GenL is a flexible and extensible program for the analysis of X-ray scattering data from thin films.
It offers a robust method for determining structural properties of epitaxial layers.
The software is available in source code or as a pre-compiled binary under the GNU GPL.