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arXiv · 2311.16790

Epitaxial two-dimensional membranes under intrinsic and extrinsic strains

Nicolas Rougemaille·Johann Coraux
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Abstract

Two-dimensional (2D) materials naturally form moir\'{e} patterns with other crystalline layers, such as other 2D material or the surface of a substrate. These patterns add a nanoscale characteristic length in the form of a superlattice: the moir\'{e} wavelength. Understanding the origin and characteristics of these patterns is crucial to design/interpret moir\'{e}-induced physical properties. Here, we use a mixed continuum mechanics + atomistic modeling to study two experimentally relevant epitaxial 2D materials -- graphene on Ir(111) and MoS$_2$ on Au(111) -- under extrinsic and intrinsic strain. We consider three different scenarios affecting substantially the lattice constant of the 2D materials, the wavelength and corrugation of the moir\'{e} pattern. (i) Under the influence of the interaction with the substrate, bending energy produces non trivial variations of the moir\'{e} properties, even when the strain is small; (ii) When locked on a progressively strained substrate via the valleys of the moir\'{e}, the membranes' nanorippling amplitude goes through several jumps related to relatively smaller jumps in the interatomic distance of the 2D materials; (iii) Finally, increasing the zero-deformation value of this interatomic distance (possibly controlable with temperature or illumination in experiments) the moir\'{e} wavelength can either increase or decrease.

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Nicolas Rougemaille, Johann Coraux. 2023-11-28. Epitaxial two-dimensional membranes under intrinsic and extrinsic strains. https://doi.org/10.1103/physrevb.108.235415

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