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

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arxiv 2409.07663 v2 pith:2N7CO5KF submitted 2024-09-11 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords defectselectronmultislicepointptychographycasecontrastdefect
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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.

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