AI Article Synopsis
- Crystallography has traditionally been used to determine 3D atomic positions in crystals, providing a global average but not specific individual atom locations.
- A new method using electron tomography allows for the precise determination of the 3D coordinates of thousands of individual atoms, including defects, with a high level of accuracy (∼19 pm) and without relying on crystallinity.
- This advancement enables detailed measurements of atomic displacement and strain at a micro-level, which can significantly impact various scientific fields such as materials science, physics, and biology.
Article Abstract
Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. Here, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ∼19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field and the full strain tensor with a 3D resolution of ∼1 nm(3) and a precision of ∼10(-3), which are further verified by density functional theory calculations and molecular dynamics simulations. The ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.
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| http://dx.doi.org/10.1038/nmat4426 | DOI Listing |
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