• 文献标题:   First-principles studies of graphene antidot lattices on monolayer h-BN substrate
  • 文献类型:   Article
  • 作  者:   WEI ZX, LIU GB
  • 作者关键词:   firstprinciple, graphene antidot lattice, hbn, bandgap, bilayer
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Beijing Inst Technol
  • 被引频次:   0
  • DOI:   10.1016/j.physleta.2019.125944
  • 出版年:   2019

▎ 摘  要

The structures and electronic structures of hetero bilayers composed of graphene antidot lattice (GAL) on monolayer h-BN substrate are studied in first-principles method. Bond lengths, interlayer distances, flatness, biaxial strain effects, and effects of translating the GAL layer are studied and analyzed in detail. Results show that introducing a monolayer BN substrate makes the zero-bandgap 5 x 5 GAL open a bandgap up to 28 meV, while it makes the semiconducting 6 x 6 GAL keep its low-energy electronic structure almost intact except a small bandgap change by tens of meV at most. Our studies demonstrate that h-BN is a promising substrate for GAL. (C) 2019 Elsevier B.V. All rights reserved.