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An inelastic multislice simulation method incorporating plasmon energy losses.

B G Mendis1

  • 1Department of Physics, Durham University, South Road, Durham DH1 3LE, UK.

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Summary

This study presents a new simulation method combining plasmon excitations with multislice simulations for quantitative electron microscopy. The method accurately reproduces experimental results and shows plasmon scattering slightly reduces atom column signals.

Keywords:
Convergent beam electron diffractionFrozen phononHigh angle annular dark fieldMultislicePlasmons

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Electron Microscopy

Background:

  • Quantitative electron microscopy relies on accurate simulations of electron scattering within specimens.
  • Inelastic scattering, particularly plasmon excitations, is a dominant energy loss mechanism in solids and needs to be incorporated into simulations.

Purpose of the Study:

  • To develop and validate a novel simulation method that integrates plasmon excitations into conventional frozen phonon, multislice simulations.
  • To assess the impact of plasmon excitations on simulated electron diffraction patterns and high-angle annular dark-field (HAADF) signals.

Main Methods:

  • A Monte Carlo-based approach was employed to estimate plasmon scattering path length and angle.
  • These estimates were used to modify transmission and propagator functions within the multislice simulation framework.
  • Simulations were compared against experimental energy-filtered, convergent beam electron diffraction patterns of [110]-Si.

Main Results:

  • The combined simulation method showed good agreement with experimental electron diffraction patterns.
  • Simulations indicated that plasmon excitation reduces the HAADF signal from atom columns by suppressing electron beam channeling.
  • The overall impact of plasmon excitation on resolution and peak-to-background ratio was found to be minimal.

Conclusions:

  • The developed method provides an accurate way to simulate electron scattering, including plasmon excitations, in quantitative electron microscopy.
  • Plasmon excitations have a quantifiable effect on HAADF imaging, although their impact on image quality metrics is limited.