• 文献标题:   Ab-initio study of planar strain on electronic structure properties of graphene sheets with nanoholes
  • 文献类型:   Article
  • 作  者:   SHOKRI AA, SAFARI EK
  • 作者关键词:   graphene, nanohole, abinitio method, electronic propertie
  • 出版物名称:   INDIAN JOURNAL OF PHYSICS
  • ISSN:   0973-1458 EI 0974-9845
  • 通讯作者地址:   Payame Noor Univ
  • 被引频次:   4
  • DOI:   10.1007/s12648-014-0534-2
  • 出版年:   2015

▎ 摘  要

We use an ab-initio method to calculate the electronic structure properties of graphene with several kinds of nanoholes features (topological defects) in presence of planar strain distributions. Calculations are performed by using first-principles method in framework of the density functional theory as implemented in VASP software. Generalized gradient approximation is considered for the exchange-correlation functional. By applying a full spin polarized description to the system, we demonstrate that the nanoholes (antidot lattice) create the magnetic moment, which change with different intensity of the planar strain on the sheet. Magnetic nature of these intrinsic carbon defects suggests that it is important to understand their role in recently observed magnetism in graphene systems with periodic nanoholes.