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Quantitative Structure Determination, Terzoudis-Lumsden, et al. (2025), code and data

Monash University
ARC Linkage Grant LP1701000985 (Funded by) Alireza Sadri (Aggregated by) Colin Ophus (Aggregated by) Emmanuel Terzoudis-Lumsden (Aggregated by) Georgios Varnavides (Aggregated by)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.26180/30199921.v1&rft.title=Quantitative Structure Determination, Terzoudis-Lumsden, et al. (2025), code and data&rft.identifier=https://doi.org/10.26180/30199921.v1&rft.publisher=Monash University&rft.description=Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper further develops the scattering matrix approach to such structure determination. Through simulation, we demonstrate how this approach can be modified to better handle partial spatial coherence, unknown probe defocus, and information from the dark field region. By combining these developments we reconstruct the electrostatic potential of a monolithic SrTiO3 crystal showing good quantitative agreement with the expected structure.This repository contains the experimental datasets and code needed to reproduce the experimental reconstructions shown in Figures 8 & 9 of the paper titled Quantitative structure determination from experimental four-dimensional scanning transmission electron microscopy via the scattering matrix&rft.creator=Alireza Sadri&rft.creator=Colin Ophus&rft.creator=Emmanuel Terzoudis-Lumsden&rft.creator=Georgios Varnavides&rft.creator=Laure Bourgeois&rft.creator=Matthew Weyland&rft.creator=Scott D. Findlay&rft.creator=Stephanie M. Ribet&rft.creator=Timothy C Petersen&rft.date=2025&rft_rights=Public Domain&rft_subject=scattering matrix&rft_subject=Four dimensional scanning transmission electron microscopy&rft_subject=quantitative structure determination&rft_subject=Molecular imaging (incl. electron microscopy and neutron diffraction)&rft_subject=Condensed matter characterisation technique development&rft_subject=Condensed matter imaging&rft.type=Computer Program&rft.language=English Access the software
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Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper further develops the scattering matrix approach to such structure determination. Through simulation, we demonstrate how this approach can be modified to better handle partial spatial coherence, unknown probe defocus, and information from the dark field region. By combining these developments we reconstruct the electrostatic potential of a monolithic SrTiO3 crystal showing good quantitative agreement with the expected structure.

This repository contains the experimental datasets and code needed to reproduce the experimental reconstructions shown in Figures 8 & 9 of the paper titled "Quantitative structure determination from experimental four-dimensional scanning transmission electron microscopy via the scattering matrix"

Issued: 2025-09-24

Created: 2025-09-24

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Condensed matter characterisation technique development | Condensed matter imaging | Four dimensional scanning transmission electron microscopy | Molecular imaging (incl. electron microscopy and neutron diffraction) | quantitative structure determination | scattering matrix |

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