Local-orbital tomography with depth-dependent interactions

Three-dimensional reconstruction of atomic structure, known as atomic electron tomography (AET), has found increasing applications in materials science. The AET has been limited to objects of very small size due to the challenges of obtaining accurate atomic positions for large objects, for which the projection approximation generally assumed in AET is no longer valid due to the evolution of the electron probe along the beam direction. To address these challenges, we have developed a method that represents atoms as local orbitals and implements a depth-dependent probe-object interaction. Compared to conventional tomographic methods, the accuracy of atomic positions is improved by more than a factor of three and provides a solution for the tomographic reconstruction of large objects.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-02-26
DOI
https://doi.org/10.1103/physrevb.111.064116
Primary Topic
Advanced X-ray Imaging Techniques
Type
article
Field-Weighted Citation Impact
0.00

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article

Local-orbital tomography with depth-dependent interactions

Jizhe Cui, Rong Yu, Liangze Mao
Physical review. B./Physical review. B
Advanced X-ray Imaging Techniques
article

Local-orbital tomography with depth-dependent interactions

Jizhe Cui, Rong Yu, Liangze Mao
article en

Abstract

Three-dimensional reconstruction of atomic structure, known as atomic electron tomography (AET), has found increasing applications in materials science. The AET has been limited to objects of very small size due to the challenges of obtaining accurate atomic positions for large objects, for which the projection approximation generally assumed in AET is no longer valid due to the evolution of the electron probe along the beam direction. To address these challenges, we have developed a method that represents atoms as local orbitals and implements a depth-dependent probe-object interaction. Compared to conventional tomographic methods, the accuracy of atomic positions is improved by more than a factor of three and provides a solution for the tomographic reconstruction of large objects.

Physical review. B./Physical review. BVol. 111(6)
Tsinghua University (CN)
National Natural Science Foundation of China
Climate action
Openalex Percentile: Top 95%
Advanced X-ray Imaging Techniques
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