• 文献标题:   Modulation of the band structure in bilayer zigzag graphene nanoribbons on hexagonal boron nitride using the force and electric fields
  • 文献类型:   Article
  • 作  者:   ILYASOV VV, NGUYEN CV, ERSHOV IV, NGUYEN CD, HIEU NN
  • 作者关键词:   semiconductor, interface, ab initio calculation, electronic structure, band structure
  • 出版物名称:   MATERIALS CHEMISTRY PHYSICS
  • ISSN:   0254-0584 EI 1879-3312
  • 通讯作者地址:   Don State Tech Univ
  • 被引频次:   11
  • DOI:   10.1016/j.matchemphys.2015.01.047
  • 出版年:   2015

▎ 摘  要

Modulation of semiconductor halfmetal metal transition in the antiferromagnetic (AF) ordering of bilayer zigzag graphene nanoribbons (BZGNRs) on hexagonal boron nitride (h-BN) heterostructure using the external force field F-ext and transverse electric fields E-ext (in the presence of interaction with the substrate) was performed within the framework of the density functional theory (DFT). We established critical values of E-ext and interlayer distance in the bilayer providing for semiconductor-halfmetal-metal transition in one of electron spin configurations. Our calculations also show that the energy gap E-g in the AF-BZGNR/h-BN(0001) heterostructure can be controlled in a wide range of the F-ext and E-ext. This makes the AF-8-ZGNR/h-BN(00 01) heterostructure being potentially promising for application in spintronic devices. (C) 2015 Elsevier B.V. All rights reserved.