Dynamical theory of angle-resolved electron energy loss and gain spectroscopies of phonons and magnons in transmission electron microscopy including multiple scattering effects

Abstract

We present a method for computing angle-resolved electron-energy-loss and gain spectroscopies for phonon and magnon excitations in transmission electron microscopy. Fractional scattering intensities are derived from the temperature-dependent time auto-correlation of the electron beam wave function. This method captures both single and multiple scattering processes, as well as dynamical diffraction effects. Our method remains computationally efficient, and it is easy to parallelize.

We include simulations of relevant systems and compare with existing experimental results

References in corpus (8)

• Implementation strategies in phonopy and phono3py
• A Spectral Analysis Method for Automated Generation of Quantum-Accurate Interatomic Potentials
• An Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics
• Imaging of isotope diffusion using atomic-scale vibrational spectroscopy
• Magnetic Effects in the Paraxial Regime of Elastic Electron Scattering
• Magnon diffuse scattering in scanning transmission electron microscopy
• Unveiling the impact of temperature on magnon diffuse scattering detection in the transmission electron microscope
• Electron energy-loss spectroscopy of quasi-two-dimensional crystals: Beyond the energy-loss functions formalism

Cited by in corpus (3)

• Perspective on Atomic-Resolution Vibrational Electron Energy-Loss Spectroscopy
• Imaging Nanoscale Carrier, Thermal, and Structural Dynamics with Time-Resolved and Ultrafast Electron Energy-Loss Spectroscopy
• Mode-Dependent Phonon Relaxation in fcc Ni: Insights from Molecular Dynamics Simulations with Frozen-Trajectory Excitations