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Title: Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

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. In this paper, 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 nm3 and a precision of ~10-3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, 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.

Authors:
 [1];  [2];  [1];  [1];  [3];  [4];  [1];  [1];  [5];  [6];  [5];  [7];  [4];  [1]
  1. Univ. of California, Los Angeles, CA (United States). Dept. of Physics & Astronomy. California NanoSystems Inst.
  2. Univ. of California, Los Angeles, CA (United States). Dept. of Physics & Astronomy. California NanoSystems Inst.; National Sun Yat-sen Univ., Kaohsiung (Taiwan). Dept. of Physics
  3. Univ. of Birmingham (United Kingdom). Nanoscale Physics Research Lab. School of Physics and Astronomy
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy. Molecular Foundry
  5. Univ. of Akron, OH (United States). Dept. of Polymer Engineering
  6. UCLA-DOE Inst. of Genomics and Proteomics, Los Angeles, CA (United States). Howard Hughes Medical Inst.
  7. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); Office of Naval Research (ONR) (United States)
OSTI Identifier:
1440914
Grant/Contract Number:  
AC02-05CH11231; FG02-13ER46943; FG02-01ER45945; DMR-1437263; DMR-0955071; N00014-14-1-0675
Resource Type:
Accepted Manuscript
Journal Name:
Nature Materials
Additional Journal Information:
Journal Volume: 14; Journal Issue: 11; Journal ID: ISSN 1476-1122
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Xu, Rui, Chen, Chien-Chun, Wu, Li, Scott, M. C., Theis, W., Ophus, Colin, Bartels, Matthias, Yang, Yongsoo, Ramezani-Dakhel, Hadi, Sawaya, Michael R., Heinz, Hendrik, Marks, Laurence D., Ercius, Peter, and Miao, Jianwei. Three-dimensional coordinates of individual atoms in materials revealed by electron tomography. United States: N. p., 2015. Web. doi:10.1038/nmat4426.
Xu, Rui, Chen, Chien-Chun, Wu, Li, Scott, M. C., Theis, W., Ophus, Colin, Bartels, Matthias, Yang, Yongsoo, Ramezani-Dakhel, Hadi, Sawaya, Michael R., Heinz, Hendrik, Marks, Laurence D., Ercius, Peter, & Miao, Jianwei. Three-dimensional coordinates of individual atoms in materials revealed by electron tomography. United States. doi:10.1038/nmat4426.
Xu, Rui, Chen, Chien-Chun, Wu, Li, Scott, M. C., Theis, W., Ophus, Colin, Bartels, Matthias, Yang, Yongsoo, Ramezani-Dakhel, Hadi, Sawaya, Michael R., Heinz, Hendrik, Marks, Laurence D., Ercius, Peter, and Miao, Jianwei. Mon . "Three-dimensional coordinates of individual atoms in materials revealed by electron tomography". United States. doi:10.1038/nmat4426. https://www.osti.gov/servlets/purl/1440914.
@article{osti_1440914,
title = {Three-dimensional coordinates of individual atoms in materials revealed by electron tomography},
author = {Xu, Rui and Chen, Chien-Chun and Wu, Li and Scott, M. C. and Theis, W. and Ophus, Colin and Bartels, Matthias and Yang, Yongsoo and Ramezani-Dakhel, Hadi and Sawaya, Michael R. and Heinz, Hendrik and Marks, Laurence D. and Ercius, Peter and Miao, Jianwei},
abstractNote = {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. In this paper, 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 nm3 and a precision of ~10-3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, 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.},
doi = {10.1038/nmat4426},
journal = {Nature Materials},
number = 11,
volume = 14,
place = {United States},
year = {2015},
month = {9}
}

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