Moiré metrology of energy landscapes in van der Waals heterostructures

Halbertal, Dorri; Finney, Nathan R.; Sunku, Sai S.; Kerelsky, Alexander; Rubio-Verdú, Carmen; Shabani, Sara; Xian, Lede; Carr, Stephen; Chen, Shaowen; Zhang, Charles; Wang, Lei; Gonzalez-Acevedo, Derick; McLeod, Alexander S.; Rhodes, Daniel; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Dean, Cory R.; Hone, James C.; Pasupathy, Abhay N.; Kennes, Dante M.; Rubio, Angel; Basov, D. N.

doi:10.1038/s41467-020-20428-1

Moiré metrology of energy landscapes in van der Waals heterostructures

Journal Article · Mon Jan 11 00:00:00 EST 2021 · Nature Communications

DOI:https://doi.org/10.1038/s41467-020-20428-1· OSTI ID:1816209

^[1]; ^[2]; Sunku, Sai S. ^[3]; Kerelsky, Alexander ^[3]; Rubio-Verdú, Carmen ^[3]; Shabani, Sara ^[3]; ^[4]; Carr, Stephen ^[5]; ^[3]; Zhang, Charles ^[3]; ^[3]; Gonzalez-Acevedo, Derick ^[3]; ^[3]; Rhodes, Daniel ^[3]; ^[6]; Taniguchi, Takashi ^[6]; ^[7]; ^[3]; ^[2]; ^[3] more »

Columbia Univ., New York, NY (United States). Dept. of Physics; OSTI
Columbia Univ., New York, NY (United States). Dept. of Mechanical Engineering
Columbia Univ., New York, NY (United States). Dept. of Physics
Max Planck Inst. for the Structure and Dynamics of Matter, Hamburg (Germany). Center Free-Electron Laser Science
Harvard Univ., Cambridge, MA (United States). Dept. of Physics
National Inst. for Material Science, Tsukuba (Japan)
Harvard Univ., Cambridge, MA (United States). John A. Paulson School of Engineering and Applied Sciences
Max Planck Inst. for the Structure and Dynamics of Matter, Hamburg (Germany). Center Free-Electron Laser Science; RWTH Aachen Univ. (Germany). Institut fur Theorie der Statistischen Physik
Max Planck Inst. for the Structure and Dynamics of Matter, Hamburg (Germany). Center Free-Electron Laser Science; Flatiron Institute, New York, NY (United States). Center for Computational Quantum Physics

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.

View Accepted Manuscript (DOE)

Research Organization:: Columbia Univ., New York, NY (United States); Krell Institute, Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0003864; SC0019443

OSTI ID:: 1816209

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 12; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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