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GENL: An extensible fitting program for Laue oscillations
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.ORCID iD: 0000-0001-9502-8599
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Physics.ORCID iD: 0000-0001-5997-8597
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Physics.ORCID iD: 0000-0002-6105-1659
(English)Manuscript (preprint) (Other academic)
Abstract [en]

GENL is a flexible program that can be used to simulate and/or fit x-ray diffraction data from epitaxial thin films exhibiting Laue oscillations. It utilizes differential evolution within a genetic algorithm for the fitting of data and is based on the kinematic theory of diffraction. Effects of polarization, absorption, the Lorentz factor, as well as instrumental resolution and vibrations are taken into account. Useful parameters that can be extracted after fitting include: atomic interplanar spacings, number of coherently scattering atomic planes, strain profiles along the film thickness, and crystal roughness. The program has been developed in MATLAB and employs a graphical user interface. The deployment strategy is twofold whereby the software can either be obtained in source code form and executed within the MATLAB environment, or as a pre-compiled binary for those who prefer not to run it within MATLAB. Finally, GENL can easily be extended to simulate multilayered film systems, superlattices, and films with atomic steps. The program is released under the GNU General Public Licence. 

National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-520681DOI: 10.48550/arXiv.2310.13539OAI: oai:DiVA.org:uu-520681DiVA, id: diva2:1827529
Available from: 2024-01-14 Created: 2024-01-14 Last updated: 2024-01-15
In thesis
1. Order and interfaces in epitaxial heterostructures: Structure and magnetism
Open this publication in new window or tab >>Order and interfaces in epitaxial heterostructures: Structure and magnetism
2024 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The work in this dissertation is devoted to investigating order and interfaces in epitaxial heterostructures. To achieve that the software tool box GenL was developed for simulating and fitting x-ray diffraction patterns from epitaxial thin films, which is used to access structural information on the length scales of interfaces and atomic bonds. Employing GenL, it is shown that a small lattice mismatch between substrate and epitaxial layer is not the sole origin of high crystal quality, as demonstrated for nearly strain-free epitaxial growth of tungsten on sapphire with a lattice mismatch of up to 19.4 %. Furthermore, it is discussed that electronic states at the substrate/film interface can have substantial significance for the crystal structure of an epitaxial layer. For instance, despite a nearly mismatch-free interface of body-centered cubic iron on spinel, the presence of a boundary-induced interface layer with tetragonally distorted crystal structure is discovered, which has a profound impact on the magnetic properties. Finally, when creating multilayered structures, not only the interface states but the total structure is found to influence the physical properties, which is demonstrated for the interlayer exchange coupling in [Fe/MgO]Nsuperlattices.

Note: This PhD thesis is partly based on the licentiate dissertation "Growth of high quality Fe thin films" by Anna L. Ravensburg, Uppsala University, 2022. Particularly parts of: Chapter 1, Sections 2.0, 2.1, 2.2, 3.0, 3.1, 3.2, 3.3, 5.1, and Fig. 2.6 are adapted from the licentiate thesis with minor edits and updates.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2024. p. 106
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 2356
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-520686 (URN)978-91-513-2010-6 (ISBN)
Public defence
2024-03-01, Heinz-Otto Kreiss Föreläsningssal, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 09:00 (English)
Opponent
Supervisors
Available from: 2024-02-07 Created: 2024-01-15 Last updated: 2024-03-12

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Publisher's full texthttps://doi.org/10.48550/arXiv.2310.13539

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Bylin, JohanPálsson, Gunnar K.Kapaklis, Vassilios

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Ravensburg, Anna LenaBylin, JohanPálsson, Gunnar K.Kapaklis, Vassilios
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