Effects of strain on defect-graphene superlattices

Defects in graphene provide both a challenge and an opportunity for scientists and engineers. Here, we report first-principles calculations of the mechanical, electronic, and magnetic properties of defect-graphene superlattices involving periodic arrays of vacancy and ring disorder defects. Using the relationship between energy and strain, we quantify the elastic moduli for these defect-graphene superlattices. Compared to pure graphene, the di-vacancy defect superlattice shows the largest change in lattice vectors but only a modest deviation in mechanical properties. Young’s modulus for the Stone–Thrower–Wales defect superlattice is found to be dramatically lower than for pure graphene. Strain has only a modest effect on the electronic structure of the defect-graphene superlattices, except for single vacancies in graphene, which display a strain-induced Jahn–Teller bond reconfiguration resulting in a discontinuous magnetic response. The effects detailed here may be exploited for device applications employing defect-graphene superlattices.



Work Title Effects of strain on defect-graphene superlattices
Open Access
  1. Victor T. Barone
  2. Blair R. Tuttle
License CC BY 4.0 (Attribution)
Work Type Article
  1. AIP Publishing
Publication Date October 1, 2020
Publisher Identifier (DOI)
  1. 10.1063/5.0018703
  1. AIP Advances
Deposited February 23, 2022




This resource is currently not in any collection.

Work History

Version 1

  • Created
  • Added 2020-AIP-ADV-graphene-1.pdf
  • Added Creator Victor T. Barone
  • Added Creator Blair R. Tuttle
  • Published
  • Updated
  • Updated
  • Updated