Automated real-space lattice extraction for atomic force microscopy images

Autor: Marco Corrias, Lorenzo Papa, Igor Sokolović, Viktor Birschitzky, Alexander Gorfer, Martin Setvin, Michael Schmid, Ulrike Diebold, Michele Reticcioli, Cesare Franchini
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Machine Learning: Science and Technology, Vol 4, Iss 1, p 015015 (2023)
Druh dokumentu: article
ISSN: 2632-2153
DOI: 10.1088/2632-2153/acb5e0
Popis: Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amount of information such as crystal structure, presence and distribution of defects, and formation of domains, which need to be resolved to understand a material’s surface structure. Therefore, machine learning techniques have been applied in scanning probe and electron microscopies during the last years, aiming for automatized and efficient image analysis. This work introduces a free and open source tool (AiSurf: Automated Identification of Surface Images) developed to inspect atomically resolved images via scale-invariant feature transform and clustering algorithms. AiSurf extracts primitive lattice vectors, unit cells, and structural distortions from the original image, with no pre-assumption on the lattice and minimal user intervention. The method is applied to various atomically resolved non-contact atomic force microscopy images of selected surfaces with different levels of complexity: anatase TiO _2 (101), oxygen deficient rutile TiO _2 (110) with and without CO adsorbates, SrTiO _3 (001) with Sr vacancies and graphene with C vacancies. The code delivers excellent results and is tested against atom misclassification and artifacts, thereby facilitating the interpretation of scanning probe microscopy images.
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