• 文献标题:   Strain-induced stacking transition in bilayer graphene
  • 文献类型:   Article
  • 作  者:   GEORGOULEA NC, POWER SR, CAFFREY NM
  • 作者关键词:   stacking, bilayer graphene, density functional theory, uniaxial strain
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1088/1361-648X/ac965d
  • 出版年:   2022

▎ 摘  要

Strain, both naturally occurring and deliberately engineered, can have a considerable effect on the structural and electronic properties of 2D and layered materials. Uniaxial or biaxial heterostrain modifies the stacking arrangement of bilayer graphene (BLG) which subsequently influences the electronic structure of the bilayer. Here, we use density functional theory (DFT) calculations to investigate the interplay between an external applied heterostrain and the resulting stacking in BLG. We determine how a strain applied to one layer is transferred to a second, 'free' layer and at what critical strain the ground-state AB-stacking is disrupted. To overcome limitations introduced by periodic boundary conditions, we consider an approximate system consisting of an infinite graphene sheet and an armchair graphene nanoribbon. We find that above a critical strain of similar to 1%