3D Mapping of Defects and Moiré Corrugations via Electron Ptychography Atomic Coordinate Retrieval
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866916940473171968 |
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| author | Huang, Jeffrey Zhang, Yichao Bae, Sang hyun Ahammed, Ballal Ertekin, Elif Huang, Pinshane Y. |
| author_facet | Huang, Jeffrey Zhang, Yichao Bae, Sang hyun Ahammed, Ballal Ertekin, Elif Huang, Pinshane Y. |
| contents | Defects and reconstructions in 2D moiré materials cause out-of-plane deformations which strongly modify their electronic properties but are difficult to experimentally access. Here, we solve the 3D atomic coordinates of twisted bilayer WSe$_2$ with picometer-scale accuracy using multislice electron ptychography (MEP) acquired from a single orientation. The resulting atomic models individually visualize each of the six atomic planes, revealing the curvature of each WSe$_2$ layer, variations in the interlayer spacing, and the 3D locations of individual vacancies -- which lie exclusively in the outer Se planes. We also observe a new, unexpected type of structural disorder consisting of mixed bending -- and breathing-type moiré-induced corrugations that should strongly impact the emergent electronic properties. Broadly, our methods generate 3D atom-by-atom models of a 2D heterointerface from data acquired in about 30 seconds, methods that should unlock routine access to 3D atomic information in 2D systems and catalyze design methods to control out-of-plane deformations. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_07140 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | 3D Mapping of Defects and Moiré Corrugations via Electron Ptychography Atomic Coordinate Retrieval Huang, Jeffrey Zhang, Yichao Bae, Sang hyun Ahammed, Ballal Ertekin, Elif Huang, Pinshane Y. Materials Science Defects and reconstructions in 2D moiré materials cause out-of-plane deformations which strongly modify their electronic properties but are difficult to experimentally access. Here, we solve the 3D atomic coordinates of twisted bilayer WSe$_2$ with picometer-scale accuracy using multislice electron ptychography (MEP) acquired from a single orientation. The resulting atomic models individually visualize each of the six atomic planes, revealing the curvature of each WSe$_2$ layer, variations in the interlayer spacing, and the 3D locations of individual vacancies -- which lie exclusively in the outer Se planes. We also observe a new, unexpected type of structural disorder consisting of mixed bending -- and breathing-type moiré-induced corrugations that should strongly impact the emergent electronic properties. Broadly, our methods generate 3D atom-by-atom models of a 2D heterointerface from data acquired in about 30 seconds, methods that should unlock routine access to 3D atomic information in 2D systems and catalyze design methods to control out-of-plane deformations. |
| title | 3D Mapping of Defects and Moiré Corrugations via Electron Ptychography Atomic Coordinate Retrieval |
| topic | Materials Science |
| url | https://arxiv.org/abs/2509.07140 |