Journal
NANO LETTERS
Volume 16, Issue 9, Pages 5574-5581Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.6b02130
Keywords
Unmixing crystallography; atomic scale imaging Fourier transform; scanning tunneling microscopy; scanning transmission electron-microscopy
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Funding
- Division of Materials Sciences and Engineering, BES, US DOE
- Center for Nanophase Materials Sciences
- US DOE Office of Science User Facility
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Advances in electron and scanning probe microscopies have led to a wealth of atomically resolved structural and electronic data, often with similar to 1-10 pm precision. However, knowledge generation from such data requires the development of a physics-based robust framework to link the observed structures to macroscopic chemical and physical descriptors, including single phase regions, order parameter fields, interfaces, and structural and topological defects. Here, we develop an approach based on a synergy of sliding window Fourier transform to capture the local analog of traditional structure factors combined with blind linear unmixing of the resultant 4D data set. This deep data analysis is ideally matched to the underlying physics of the problem and allows reconstruction of the a priori unknown structure factors of individual components and their spatial localization. We demonstrate the principles of this approach using a synthetic data set and further apply it for extracting chemical and physically relevant information from electron and scanning tunneling microscopy data. This method promises to dramatically speed up crystallographic analysis in atomically resolved data, paving the road toward automatic local structure-property determinations in crystalline and quasi-ordered systems, as well as systems with competing structural and electronic order parameters.
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