Quantitative Structure Determination from Experimental Four-Dimensional Scanning Transmission Electron Microscopy via the Scattering Matrix

Terzoudis-Lumsden, Emmanuel W. C. [Monash University, Melbourne, VIC (Australia)]; Sadri, Alireza [Monash University, Melbourne, VIC (Australia)]; Weyland, Matthew [Monash University, Melbourne, VIC (Australia)]; Bourgeois, Laure [Monash University, Melbourne, VIC (Australia)]; Ribet, Stephanie M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy] (ORCID:000000027117066X); Varnavides, Georgios [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy; University of California, Berkeley, CA (United States)] (ORCID:0000000183383323); Ophus, Colin [Stanford University, Palo Alto, CA (United States)]; Petersen, Timothy C. [Monash University, Melbourne, VIC (Australia)]; Findlay, Scott D. [Monash University, Melbourne, VIC (Australia)] (ORCID:0000000348624827)

doi:10.1093/mam/ozaf119

DOE OSTI · 3013342

Quantitative Structure Determination from Experimental Four-Dimensional Scanning Transmission Electron Microscopy via the Scattering Matrix

Terzoudis-Lumsden, Emmanuel W. C. [Monash University, Melbourne, VIC (Australia)]·Sadri, Alireza [Monash University, Melbourne, VIC (Australia)]·Weyland, Matthew [Monash University, Melbourne, VIC (Australia)]·Bourgeois, Laure [Monash University, Melbourne, VIC (Australia)]·Ribet, Stephanie M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy] (ORCID:000000027117066X)·Varnavides, Georgios [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy; University of California, Berkeley, CA (United States)] (ORCID:0000000183383323)·Ophus, Colin [Stanford University, Palo Alto, CA (United States)]·Petersen, Timothy C. [Monash University, Melbourne, VIC (Australia)]·Findlay, Scott D. [Monash University, Melbourne, VIC (Australia)] (ORCID:0000000348624827)

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Abstract

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 SrTiO 3 crystal showing good quantitative agreement with the expected structure.

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Terzoudis-Lumsden, Emmanuel W. C. [Monash University, Melbourne, VIC (Australia)], Sadri, Alireza [Monash University, Melbourne, VIC (Australia)], Weyland, Matthew [Monash University, Melbourne, VIC (Australia)], Bourgeois, Laure [Monash University, Melbourne, VIC (Australia)], Ribet, Stephanie M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy] (ORCID:000000027117066X), Varnavides, Georgios [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy; University of California, Berkeley, CA (United States)] (ORCID:0000000183383323), Ophus, Colin [Stanford University, Palo Alto, CA (United States)], Petersen, Timothy C. [Monash University, Melbourne, VIC (Australia)], Findlay, Scott D. [Monash University, Melbourne, VIC (Australia)] (ORCID:0000000348624827). 2025-12-10. Quantitative Structure Determination from Experimental Four-Dimensional Scanning Transmission Electron Microscopy via the Scattering Matrix. https://doi.org/10.1093/mam%2Fozaf119

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