• 文献标题:   First-principles study of electronic properties of AB-stacked bilayer armchair graphene nanoribbons under out-plane strain
  • 文献类型:   Article
  • 作  者:   NGUYEN CV, HIEU NV, NHAN LC, PHUC HV, ILYASOV VV, HIEU NN
  • 作者关键词:   bilayer graphene nanoribbon, electronic propertie, density functional theory
  • 出版物名称:   INDIAN JOURNAL OF PHYSICS
  • ISSN:   0973-1458 EI 0974-9845
  • 通讯作者地址:   Duy Tan Univ
  • 被引频次:   0
  • DOI:   10.1007/s12648-017-1118-8
  • 出版年:   2018

▎ 摘  要

In this work, we consider the effect of out-plane strain on the electronic properties of AB-stacked bilayer armchair graphene nanoribbons (BAGNRs) using density functional theory. At equilibrium, the interlayer distance of BAGNRs is d(0) = 3: 326 angstrom. Our DFT calculations show that while the dependence of the band gap of 11-BAGNR on interlayer distance d is insignificant, especially in the case of the d < d(0), the band gap of 9- and 10-BAGNRs depends strongly on the interlayer distance d. The effect of out-plane strain on band structure, total energy, and total charge density of BAGNRs is also investigated and discussed.