• 文献标题:   Magnetic moment changed by interlayer charge transfer in vertical graphene/C-doped hexagonal boron nitride heterostructure
  • 文献类型:   Article
  • 作  者:   BOYNAZAROV T, LEE J, KIM G
  • 作者关键词:   graphene, hexagonal boron nitride, carbon doping, spin magnetic moment, interlayer charge transfer
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Sejong Univ
  • 被引频次:   0
  • DOI:   10.1016/j.cplett.2017.12.007
  • 出版年:   2018

▎ 摘  要

Using density functional calculations, we study atomic and electronic structures of monolayer hexagonal boron nitride (h-BN) and vertical graphene/h-BN heterostructures with substitutional carbon defects. For monolayer h-BN, a carbon atom substituted for a boron or nitrogen atom causes spin polarization. In the presence of an adjacent graphene sheet, however, the spin magnetic moment disappears owing to interlayer charge transfer for a C-B defect. Interestingly, two carbon defects in a hexagon of monolayer h-BN do not induce magnetic properties. In contrast, two C-B defects (two C-N defects) can have spin polarization in the vertical graphene/h-BN heterostructures because of interlayer charge transfer. (C) 2017 Elsevier B.V. All rights reserved.