Moiré metrology of energy landscapes in van der Waals heterostructures

Dorri Halbertal (), Nathan R. Finney, Sai S. Sunku, Alexander Kerelsky, Carmen Rubio-Verdú, Sara Shabani, Lede Xian, Stephen Carr, Shaowen Chen, Charles Zhang, Lei Wang, Derick Gonzalez-Acevedo, Alexander S. McLeod, Daniel Rhodes, Kenji Watanabe, Takashi Taniguchi, Efthimios Kaxiras, Cory R. Dean, James C. Hone, Abhay N. Pasupathy, Dante M. Kennes, Angel Rubio and D. N. Basov
Additional contact information
Dorri Halbertal: Columbia University
Nathan R. Finney: Columbia University
Sai S. Sunku: Columbia University
Alexander Kerelsky: Columbia University
Carmen Rubio-Verdú: Columbia University
Sara Shabani: Columbia University
Lede Xian: Max Planck Institute for the Structure and Dynamics of Matter and Center Free-Electron Laser Science
Stephen Carr: Harvard University
Shaowen Chen: Columbia University
Charles Zhang: Columbia University
Lei Wang: Columbia University
Derick Gonzalez-Acevedo: Columbia University
Alexander S. McLeod: Columbia University
Daniel Rhodes: Columbia University
Kenji Watanabe: National Institute for Material Science
Takashi Taniguchi: National Institute for Material Science
Efthimios Kaxiras: Harvard University
Cory R. Dean: Columbia University
James C. Hone: Columbia University
Abhay N. Pasupathy: Columbia University
Dante M. Kennes: Max Planck Institute for the Structure and Dynamics of Matter and Center Free-Electron Laser Science
Angel Rubio: Max Planck Institute for the Structure and Dynamics of Matter and Center Free-Electron Laser Science
D. N. Basov: Columbia University

Nature Communications, 2021, vol. 12, issue 1, 1-8

Abstract: 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.

Date: 2021
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DOI: 10.1038/s41467-020-20428-1

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