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Sensitivity of Multislice Electron Ptychography to Point Defects: A Case Study in SiC

Materials Science 2025-05-15 v2

Abstract

Here, we evaluate multislice electron ptychography as a tool to carry out depth-resolved atomic resolution characterization of point defects, using silicon carbide as a case study. Through multislice electron scattering simulations and multislice ptychographic reconstructions, we investigate the phase contrast arising from individual silicon vacancies, antisite defects, and a wide range of substitutional transition metal dopants (V\textsubscript{Si} to W\textsubscript{Si}) and potential detectability. Simulating defect types, positions, and microscope conditions, we show that isolated point defects can be located within a unit cell along the sample's depth. The influence of electron energy, dose, defocus, and convergence semi-angle is also explored to determine their role in governing defect contrast. These results guide experiments aiming to analyze point defects with multislice electron ptychography.

Keywords

Cite

@article{arxiv.2409.07663,
  title  = {Sensitivity of Multislice Electron Ptychography to Point Defects: A Case Study in SiC},
  author = {Aaditya Bhat and Colin Gilgenbach and Junghwa Kim and Michael Xu and Menglin Zhu and James M. LeBeau},
  journal= {arXiv preprint arXiv:2409.07663},
  year   = {2025}
}
R2 v1 2026-06-28T18:41:52.990Z