Universal Moir\'e Buckling of Freestanding 2D Bilayers

TL;DR

This paper predicts that all freestanding 2D bilayers will spontaneously buckle due to intrinsic stress from moiré patterns, leading to significant structural and physical property changes, with potential for experimental observation.

Contribution

It introduces a universal theoretical framework predicting spontaneous out-of-plane buckling in all freestanding 2D bilayers caused by moiré network stresses.

Findings

All freestanding 2D bilayers undergo spontaneous buckling.

Buckling causes a significant drop in bending stiffness.

Phase transitions between buckled and unbuckled states are predicted.

Abstract

The physics of membranes, a classic subject, acquires new momentum from two-dimensional (2D) materials multilayers. This work reports the surprising results emerged during a theoretical study of equilibrium geometry of bilayers as freestanding membranes. While ordinary membranes are prone to buckle around compressive impurities, we predict that all 2D material freestanding bilayers universally undergo, even if impurity-free, a spontaneous out-of-plane buckling. The moir\'e network nodes here play the role of internal impurities, the dislocations that join them giving rise to a stress pattern, purely shear in homo-bilayers and mixed compressive/shear in hetero-bilayers. That intrinsic stress is, theory and simulations show, generally capable to cause all freestanding 2D bilayers to undergo distortive bucklings with large amplitudes and a rich predicted phase transition scenario. Realistic simulations predict quantitative parameters expected for these phenomena as expected in hetero-bilayers such as graphene/hBN, $\rm{WS_2/WSe_2}$ hetero-bilayers, and for twisted homo-bilayers such as graphene, hBN, $\rm{MoS_2}$. Buckling then entails a variety of predicted consequences. Mechanically, a critical drop of bending stiffness is expected at all buckling transitions. Thermally, the average buckling corrugation decreases with temperature, with buckling-unbuckling phase transitions expected in some cases, and the buckled state often persisting even above room temperature. Buckling will be suppressed by deposition on hard attractive substrates, and survive in reduced form on soft ones. Frictional, electronic and other associated phenomena are also highlighted. The universality and richness of these predicted phenomena strongly encourages an experimental search, which is possible but still missing.