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

Abstract

Robust atomic resolution structural characterization of point defects in 3D is a longstanding challenge for electron microscopy. Here, we evaluate multislice electron ptychography as a tool to carry out 3D atomic resolution characterization of point defects in silicon carbide as a model. Through multislice electron scattering simulations, subsequent ptychographic reconstructions, and data analysis, we show that intrinsic defects such as vacancies and substitutions beyond transition metals can be detected with a depth precision of approximately 0.1 nm with realistic sample and microscope conditions. Furthermore, the dependence of contrast at defect sites on electron energy and dose, as well as optimal acquisition parameters, are described. Overall, these results serve as a guidepost to experiments aiming to analyze point defects beyond extremely thin specimens or only heavy elements.