2023/10/25 by Christian Doberstein, Doberstein, Christian, Peter Binev +1
Biochemistry, Genetics and Molecular Biology · Engineering · Materials Science · #Advanced Electron Microscopy Techniques and Applications #Electromagnetic Simulation and Numerical Methods #Electron and X-Ray Spectroscopy Techniques #FOS: Mathematics #Numerical Analysis (math.NA)
paper · pdf · doi:10.48550/arxiv.2310.16829
openalex publication_date 2023/10/25 · openalex created_date 2023/10/27 · openalex updated_date 2026/08/01
We introduce a new approach to the numerical simulation of Scanning Transmission Electron Microscopy images. The Lattice Multislice Algorithm (LMA) takes advantage of the fact that electron waves passing through the specimen have limited bandwidth and therefore can be approximated very well by a low-dimensional linear space spanned by translations of a well-localized function u. Just like in the PRISM algorithm recently published by C. Ophus, we utilize the linearity of the Schrödinger equation, but perform the approximations with functions that are well localized in real space instead of Fourier space. This way, we achieve a similar computational speedup as PRISM, but at a much lower memory consumption and reduced numerical error due to avoiding virtual copies of the probe waves interfering with the result. Our approach also facilitates faster recomputations if local changes are made to the specimen such as changing a single atomic column.