A1 Journal article (refereed)
Rippling of two-dimensional materials by line defects (2020)

Kähärä, T., & Koskinen, P. (2020). Rippling of two-dimensional materials by line defects. Physical Review B, 102(7), Article 075433. https://doi.org/10.1103/PhysRevB.102.075433

JYU authors or editors

Kähärä, Topi
Koskinen, Pekka

Publication details

All authors or editors: Kähärä, Topi; Koskinen, Pekka

Journal or series: Physical Review B

ISSN: 2469-9950

eISSN: 2469-9969

Publication year: 2020

Publication date: 18/08/2020

Volume: 102

Issue number: 7

Article number: 075433

Publisher: American Physical Society (APS)

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1103/PhysRevB.102.075433

Publication open access: Not open

Publication channel open access:

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/71499

Web address of parallel published publication (pre-print): https://arxiv.org/abs/2008.08293

Abstract

Two-dimensional materials and their mechanical properties are known to be profoundly affected by rippling
deformations. However, although ripples are fairly well understood, less is known about their origin and controlled modification. Here, motivated by recent reports of laser-controlled creation of line defects in graphene, we
investigate how line defects could be used to control rippling in graphene and other two-dimensional materials.
By sequential multiscale coupling of density-functional tight-binding and continuum elasticity simulations,
we quantify the amount of rippling when the number and the cumulative length of the line defects increase.
Simulations show that elastic sheets with networks of line defects create rippling that induces considerable
out-of-plane rigidification and in-plane softening with nonlinear elastic behavior. We hope that these insights
help to guide experimental attempts to modify the mechanical properties of graphene and other two-dimensional
materials.

Keywords: materials science; solid-state physics; graphene; physical properties; elasticity (physical properties)

Free keywords: bending; elastic modulus; line defects; mechanical deformation

Fields of science: