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Updated: Jul 15, 2025

Microcrystal Electron Diffraction of Small Molecules
Published on: March 15, 2021
Determining the Projected Crystal Structure from Four-dimensional Scanning Transmission Electron Microscopy via the
Alireza Sadri1, Scott D Findlay
1School of Physics and Astronomy, Monash University, Clayton, Victoria 3800, Australia.
Abstract:
We present a gradient-descent-based approach to determining the projected electrostatic potential from four-dimensional scanning transmission electron microscopy measurements of a periodic, crystalline material even when dynamical scattering occurs. The method solves for the scattering matrix as an intermediate step, but overcomes the so-called truncation problem that limited previous scattering-matrix-based projected structure determination methods. Gradient descent is made efficient by using analytic expressions for the gradients. Through simulated case studies, we show that iteratively improving the scattering matrix determination can significantly improve the accuracy of the projected structure determination.
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