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Main Authors: Jharapla, Prathap Kumar, Leconte, Nicolas, He, Zhiren, Khalsa, Guru, Jung, Jeil
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2510.18694
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author Jharapla, Prathap Kumar
Leconte, Nicolas
He, Zhiren
Khalsa, Guru
Jung, Jeil
author_facet Jharapla, Prathap Kumar
Leconte, Nicolas
He, Zhiren
Khalsa, Guru
Jung, Jeil
contents We demonstrate a finite twist-angle stabilization mechanism in lattice-mismatched 2D heterobilayers, which results from the geometric alignment between the flake edges and its moire pattern. Using atomistic simulations of graphene on hexagonal boron nitride flakes with diameters of up to $\sim 2500$Å, we identify robust metastable angles at $\sim 0.61^\circ$ for armchair and $\sim1.89^\circ$ for zigzag-edged flakes, tunable via in-plane heterostrain. This locking mechanism, which relies on energy barriers that are an order of magnitude larger than those of nearby metastable twist angles, provides a geometric route to precision twist-angle control of two-dimensional heterostructures and to understand the self-orientation of macroscopic flakes.
format Preprint
id arxiv_https___arxiv_org_abs_2510_18694
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Geometric control of the moire twist angle in heterobilayer flakes
Jharapla, Prathap Kumar
Leconte, Nicolas
He, Zhiren
Khalsa, Guru
Jung, Jeil
Mesoscale and Nanoscale Physics
We demonstrate a finite twist-angle stabilization mechanism in lattice-mismatched 2D heterobilayers, which results from the geometric alignment between the flake edges and its moire pattern. Using atomistic simulations of graphene on hexagonal boron nitride flakes with diameters of up to $\sim 2500$Å, we identify robust metastable angles at $\sim 0.61^\circ$ for armchair and $\sim1.89^\circ$ for zigzag-edged flakes, tunable via in-plane heterostrain. This locking mechanism, which relies on energy barriers that are an order of magnitude larger than those of nearby metastable twist angles, provides a geometric route to precision twist-angle control of two-dimensional heterostructures and to understand the self-orientation of macroscopic flakes.
title Geometric control of the moire twist angle in heterobilayer flakes
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2510.18694