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Bending stiffness collapse, buckling, topological bands of freestanding twisted bilayer graphene

Jin Wang1,*, Ali Khosravi1,2,3,*, Andrea Silva1,3, Michele Fabrizio1, Andrea Vanossi1,3, and Erio Tosatti1,2,3,†

  • 1International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste, Italy
  • 2International Centre for Theoretical Physics (ICTP), Strada Costiera 11, 34151 Trieste, Italy
  • 3CNR-IOM, Consiglio Nazionale delle Ricerche - Istituto Officina dei Materiali, c/o SISSA, Via Bonomea 265, 34136 Trieste, Italy

  • *These authors contributed equally to this work.
  • †tosatti@sissa.it

Phys. Rev. B 108, L081407 – Published 21 August, 2023

DOI: https://doi.org/10.1103/PhysRevB.108.L081407

Abstract

The freestanding twisted bilayer graphene (TBG) is unstable, below a critical twist angle θc∼3.7∘, against a moiré (2×1) buckling distortion at T=0. Realistic simulations reveal the concurrent unexpected collapse of the bending rigidity, an unrelated macroscopic mechanical parameter. An analytical model connects bending and buckling anomalies at T=0, but as temperature rises the former fades, while buckling persists further. The (2×1) electronic properties are also surprising. The magic twist angle narrow bands, now eight in number, fail to show zone boundary splittings despite the different periodicity. Symmetry shows how this is dictated by an effective single-valley physics. These structural, critical, and electronic predictions promise to make the freestanding state of TBG especially interesting.

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