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  Moiré metrology of energy landscapes in van der Waals heterostructures

Halbertal, D., Finney, N. R., Sunku, S. S., Kerelsky, A., Rubio-Verdú, C., Shabani, S., et al. (2021). Moiré metrology of energy landscapes in van der Waals heterostructures. Nature Communications, 12: 242. doi:10.1038/s41467-020-20428-1.

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 Creators:
Halbertal, D.1, Author
Finney, N. R.2, Author
Sunku, S. S.1, Author
Kerelsky, A.1, Author
Rubio-Verdú, C.1, Author
Shabani, S.1, Author
Xian, L. D.3, 4, Author           
Carr, S.5, Author
Chen, S.1, Author
Zhang, C.1, Author
Wang, L.1, Author
Gonzalez-Acevedo, D.1, Author
McLeod, A. S.1, Author
Rhodes, D.1, Author
Watanabe, K.6, Author
Taniguchi, T.5, Author
Kaxiras, E.7, Author
Dean, C. R.1, Author
Hone, J. C.2, Author
Pasupathy, A. N.1, Author
Kennes, D. M.3, 4, 8, Author           Rubio, A.3, 9, Author           Basov, D. N.1, Author more..
Affiliations:
1Department of Physics, Columbia University, New York, ou_persistent22              
2Department of Mechanical Engineering, Columbia University, New York, ou_persistent22              
3Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
4Center for Free-Electron Laser Science, ou_persistent22              
5Department of Physics, Harvard University, Cambridge, ou_persistent22              
6National Institute for Material Science, Tsukuba, ou_persistent22              
7John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, ou_persistent22              
8Institut für Theorie der Statistischen Physik, RWTH Aachen University, ou_persistent22              
9Center for Computational Quantum Physics, Flatiron Institute, New York, ou_persistent22              

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 Abstract: The emerging field of twistronics, which harnesses the twist angle between two-dimensional materials, represents a promising route for the design of quantum materials, as the twist-angle-induced superlattices offer means to control topology and strong correlations. At the small twist limit, and particularly under strain, as atomic relaxation prevails, the emergent moiré superlattice encodes elusive insights into the local interlayer interaction. Here we introduce moiré metrology as a combined experiment-theory framework to probe the stacking energy landscape of bilayer structures at the 0.1 meV/atom scale, outperforming the gold-standard of quantum chemistry. Through studying the shapes of moiré domains with numerous nano-imaging techniques, and correlating with multi-scale modelling, we assess and refine first-principle models for the interlayer interaction. We document the prowess of moiré metrology for three representative twisted systems: bilayer graphene, double bilayer graphene and H-stacked MoSe2/WSe2. Moiré metrology establishes sought after experimental benchmarks for interlayer interaction, thus enabling accurate modelling of twisted multilayers.

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Language(s): eng - English
 Dates: 2020-09-252020-12-022021-01-11
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: arXiv: 2008.04835
DOI: 10.1038/s41467-020-20428-1
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Grant ID : 844271
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: Nature Communications
  Abbreviation : Nat. Commun.
Source Genre: Journal
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Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 12 Sequence Number: 242 Start / End Page: - Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723