Commensurate-incommensurate phase transition and a network of domain walls in bilayer graphene with a biaxially stretched layer

Abstract

The two-chain Frenkel-Kontorova model is applied for an analytical description of the energy and structure of the network of domain walls in bilayer graphene. Using this approach, the commensurate-incommensurate phase transition upon biaxial stretching of one of the graphene layers is considered. We demonstrate that formation of the equilateral triangular network of domain walls becomes energetically favourable above the critical relative biaxial elongation of the bottom layer of $3.0\cdot 10^{-3}$. It is shown that the optimal period of the triangular network of domain walls is inversely proportional to the difference between the biaxial elongation of the bottom layer and the critical elongation as long as it is much greater than the width of domain walls. Quantitative estimates of the contribution of a single dislocation node to the system energy and the period of the network of domain walls are obtained. Experimental measurements of the period could help to verify the energy of the fully incommensurate state (such as obtained by relative rotation of the layers) with respect to the commensurate one.

arXiv comment9 pages, 5 figures

References in corpus (20)

• Van der Waals Density Functional for General Geometries
• A Higher-Accuracy van der Waals Density Functional
• Commensurate-incommensurate transition for graphene on hexagonal boron nitride
• Strain Solitons and Topological Defects in Bilayer Graphene
• Dependence of band structures on stacking and field in layered graphene
• Commensurate-incommensurate phase transition in bilayer graphene
• Electric Field Control of Soliton Motion and Stacking in Trilayer Graphene
• Fast diffusion of graphene flake on graphene layer
• Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride
• Networks of ABA and ABC stacked graphene on mica observed by scanning tunneling microscopy
• Stacking boundaries and transport in bilayer graphene
• Electronic transmission through AB-BA domain boundary in bilayer graphene
• Electromechanical Oscillations in Bilayer Graphene
• Barriers to motion and rotation of graphene layers based on measurements of shear mode frequencies
• Diffusion and drift of graphene flake on graphite surface
• Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride
• Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study
• Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction
• Nanomechanical Properties and Phase Transitions in a Double-Walled (5,5)@(10,10) Carbon Nanotube: ab initio Calculations
• Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatch

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