Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface
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s41467-021-21363-5.pdf
Description
Published version
Size
7.5 MB
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Unknown
Checksum (MD5)
cceee068ac8fd1fb08a1444732801105
Author(s)
Tian, Xuezeng
Yan, Xingxu
Varnavides, Georgios
Yuan, Yakun
Kim, Dennis S.
Ciccarino, Christopher J.
Anikeeva, Polina
Li, Ming-Yang
Li, Lain-Jong
Narang, Prineha
Date Issued
September 2021
Journal
Science Advances
Publisher
American Association for the Advancement of Science (AAAS)
Citation
Tian, Xuezeng, Yan, Xingxu, Varnavides, Georgios, Yuan, Yakun, Kim, Dennis S et al. 2021. "Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface." Science Advances, 7 (38).
Version
Final published version
Abstract
The three-dimensional (3D) local atomic structures and crystal defects at the interfaces of heterostructures con-trol their electronic, magnetic, optical, catalytic, and topological quantum properties but have thus far eluded any direct experimental determination. Here, we use atomic electron tomography to determine the 3D local atomic positions at the interface of a MoS2-WSe2 heterojunction with picometer precision and correlate 3D atomic defects with localized vibrational properties at the epitaxial interface. We observe point defects, bond distortion, and atomic-scale ripples and measure the full 3D strain tensor at the heterointerface. By using the experimental 3D atomic coordinates as direct input to first-principles calculations, we reveal new phonon modes localized at the interface, which are corroborated by spatially resolved electron energy-loss spectroscopy. We expect that this work will pave the way for correlating structure-property relationships of a wide range of heterostructure inter-faces at the single-atom level.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Research Laboratory of Electronics
McGovern Institute for Brain Research at MIT
Massachusetts Institute of Technology. Department of Brain and Cognitive Sciences
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DOI of Published Version
https://doi.org/10.1126/sciadv.abi6699
