# Efficient and Versatile Model for Vibrational STEM-EELS.

@article{Zeiger2020EfficientAV, title={Efficient and Versatile Model for Vibrational STEM-EELS.}, author={Paul Zeiger and J{\'a}n Rusz}, journal={Physical review letters}, year={2020}, volume={124 2}, pages={ 025501 } }

We introduce a novel method for the simulation of the impact scattering in vibrational scanning transmission electron microscopy electron energy loss spectroscopy simulations. The phonon-loss process is modeled by a combination of molecular dynamics and elastic multislice calculations within a modified frozen phonon approximation. The key idea is thereby to use a so-called δ thermostat in the classical molecular dynamics simulation to generate frequency dependent configurations of the vibrating… Expand

#### 8 Citations

The frequency-resolved frozen phonon multislice method and its application to vibrational EELS using parallel illumination

- Physics, Materials Science
- 2021

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… Expand

Simulations of angle- and spatially-resolved vibrational electron energy loss spectroscopy for a system with a planar defect

- Physics
- 2021

Recent developments in experiments with vibrational electron energy loss spectroscopy (EELS) have revealed spectral shape variations at spatial resolutions down to sub-atomic scale. Interpretation in… Expand

Lattice resolution of vibrational modes in the electron microscope.

- Medicine, Physics
- Ultramicroscopy
- 2020

It is shown that Umklapp scattering from the second Brillouin Zone back to the first BrillouIn Zone is necessary for lattice resolution with the on axis detector and that it is therefore reasonable to attribute the latticeresolution to the phonon scattering. Expand

Contrast reversal in atomic-scale phonon spectroscopic imaging

- Physics
- 2020

It was recently shown that phonon spectral mapping of atomic structure is possible in scanning transmission electron microscopy. These results were obtained by deflecting the transmitted beam to… Expand

The abTEM code: transmission electron microscopy from first principles

- Computer Science
- 2021

Simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret experimental data. Since nuclear cores dominate electron scattering, the scattering… Expand

Four-dimensional vibrational spectroscopy for nanoscale mapping of phonon dispersion in BN nanotubes

- Medicine, Physics
- Nature communications
- 2021

A four-dimensional electron energy loss spectroscopy technique is demonstrated, and position-dependent phonon dispersion measurements in individual boron nitride nanotubes are presented, revealing position- and momentum-dependent lattice vibrations at nanometer scale. Expand

ab initio description of bonding for transmission electron microscopy.

- Medicine
- Ultramicroscopy
- 2021

It is argued that a physically better justified ab initio description of the scattering potential is both useful and viable for an increasing number of systems, and it is expected that such simulations to steadily gain in popularity and importance. Expand

Bridging nano-optics and condensed matter formalisms in a unified description of inelastic scattering of relativistic electron beams

- Physics
- 2020

In the last decades, the blossoming of experimental breakthroughs in the domain of electron energy loss spectroscopy (EELS) has triggered a variety of theoretical developments. Those have to deal… Expand

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