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Determining pair distribution functions of thin films using laboratory-based X-ray sources.

Johan Bylin1, Vassilios Kapaklis1, Gunnar K Pálsson1

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|October 10, 2024
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Summary

Accurate pair distribution functions for thin amorphous films (down to 80 nm) can be obtained using a single X-ray diffraction scan. This method minimizes substrate and air scattering, enabling precise structural analysis of nanoscale materials.

Keywords:
laboratory X-ray tubespair distribution functionsthin films

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Accurate structural characterization of thin amorphous films is crucial for understanding their properties.
  • Traditional X-ray diffraction methods often struggle with the weak scattering signals from thin films and interference from substrates.

Purpose of the Study:

  • To demonstrate a feasible method for obtaining accurate pair distribution functions (PDFs) of thin amorphous films.
  • To enable nanoscale structural analysis using readily available laboratory X-ray sources.

Main Methods:

  • Utilizing modern laboratory-based X-ray sources for diffraction.
  • Employing a single diffraction scan approach, avoiding separate substrate or air scans.
  • Using a crystalline substrate with oblique scattering geometry to minimize Bragg scattering.
  • Applying a discriminating energy filter to reduce Compton scattering.
  • Systematic pixel selection and 3D-printed sample holders to minimize extraneous scattering.
  • Incorporating a theoretical tool to account for X-ray optical effects and intensity ratios.

Main Results:

  • Accurate pair distribution functions were obtained for thin amorphous films down to 80 nm thickness.
  • Substrate Bragg scattering was effectively minimized by using oblique scattering geometry.
  • Compton scattering from the substrate was significantly reduced using an energy filter.
  • Scattering from the sample holder and air was minimized through optimized experimental design.

Conclusions:

  • The demonstrated method is feasible for accurate structural analysis of thin amorphous films using laboratory X-ray sources.
  • This technique simplifies the experimental procedure by requiring only a single diffraction scan.
  • The approach provides a powerful tool for nanoscale materials characterization and research.