Theory underpinning multislice simulations with plasmon energy losses

Area of Science:

• Condensed Matter Physics
• Materials Science
• Electron Microscopy

Background:

• Multislice simulations are crucial for understanding electron scattering in materials.
• Modeling plasmon energy losses, which are delocalized, presents challenges for wave-based methods.
• Monte Carlo methods offer a particle-based approach to simulate scattering events.

Purpose of the Study:

• To theoretically examine conditions for treating incident electrons as particles in inelastic scattering.
• To validate the use of Monte Carlo methods for simulating plasmon energy losses in multislice simulations.

Main Methods:

• Theoretical analysis of the scattering cross-section under specific conditions.
• Investigated the impact of delocalized plasmon excitations on electron scattering.
• Compared theoretical predictions with characteristics of particle-like scattering.

Main Results:

• The mixed dynamic form factor term in the scattering cross-section is zero for delocalized excitations.
• Scattered electron intensities follow a Poisson distribution, characteristic of particle-like scattering.
• These findings confirm the validity of the particle-like scattering approximation for plasmon excitations.

Conclusions:

• The theoretical framework supports treating electrons as particles for delocalized plasmon excitations.
• Monte Carlo methods are validated for accurately modeling plasmon losses in multislice simulations.
• This simplifies complex electron scattering simulations in materials science and electron microscopy.