Realization of nearly dispersionless bands with strong orbital anisotropy from destructive interference in twisted bilayer MoS2

Lede Xian, Martin Claassen, Dominik Kiese, Michael M. Scherer, Simon Trebst, Dante M. Kennes () and Angel Rubio ()
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Lede Xian: Max Planck Institute for the Structure and Dynamics of Matter and Center for Free Electron Laser Science
Martin Claassen: Simons Foundation Flatiron Institute
Dominik Kiese: University of Cologne
Michael M. Scherer: University of Cologne
Simon Trebst: University of Cologne
Dante M. Kennes: Max Planck Institute for the Structure and Dynamics of Matter and Center for Free Electron Laser Science
Angel Rubio: Max Planck Institute for the Structure and Dynamics of Matter and Center for Free Electron Laser Science

Nature Communications, 2021, vol. 12, issue 1, 1-9

Abstract: Abstract Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise to emergent phenomena such as superconductivity or correlated insulating states. Here, we use an ab initio based approach to characterize the electronic properties of twisted bilayer MoS2. We report that, in marked contrast to twisted bilayer graphene, slightly hole-doped MoS2 realizes a strongly asymmetric px-py Hubbard model on the honeycomb lattice, with two almost entirely dispersionless bands emerging due to destructive interference. The origin of these dispersionless bands, is similar to that of the flat bands in the prototypical Lieb or Kagome lattices and co-exists with the general band flattening at small twist angle due to the moiré interference. We study the collective behavior of twisted bilayer MoS2 in the presence of interactions, and characterize an array of different magnetic and orbitally-ordered correlated phases, which may be susceptible to quantum fluctuations giving rise to exotic, purely quantum, states of matter.

Date: 2021
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DOI: 10.1038/s41467-021-25922-8

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