The frequency-resolved frozen phonon multislice method and its application to vibrational EELS using parallel illumination
classification
❄️ cond-mat.mtrl-sci
cond-mat.other
keywords
methodphononvibrationalelectronfrequency-resolvedfrozenilluminationmultislice
read the original abstract
We explore the capabilities of the frequency-resolved frozen phonon multislice method introduced in Phys. Rev. Lett. 124, 025501 (2020) to model inelastic vibrational scattering in transmission electron microscopy. We review the method in detail and discuss advantages of using a so called hotspot thermostat instead of the $\delta$-thermostat used in our first report. We apply the method to simulate vibrational electron energy loss spectra of hexagonal boron nitride under plane wave illumination. Simulated spectroscopic information well represents the theoretical phonon bandstructure of the studied material, both in terms of energies as well as polarization vectors of individual phonon modes.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.