• 文献标题:   Emergence of magnetic behavior in AB-stacked bilayer graphene via Fe-doping
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   SINGLA R, THAKUR J, RANI P, KUMAR S, HACKETT TA, KASHYAP MK
  • 作者关键词:   dft, spintronic, bilayer graphene, paw
  • 出版物名称:   VACUUM
  • ISSN:   0042-207X
  • 通讯作者地址:   Kurukshetra Univ
  • 被引频次:   0
  • DOI:   10.1016/j.vacuum.2020.109685
  • 出版年:   2020

▎ 摘  要

Bilayer graphene (BLG) as an electronic device has distinctive electronic properties in contrast to the monolayer graphene (MLG). The electronic and magnetic properties of BLG can be tailored effortlessly by authorizing an electric field, tacking dopant, and adatom. We have studied these properties of AB-stacked BLG on Fe-doping using a first-principles study with projector augmented wave (PAW) method under generalized gradient approximation (GGA). This doping is canvassed in three different configurations: Top, Bridge, and Hollow type. Our results manifest that the doping generates spin polarization and induces substantial magnetic moments in all three configurations. In the midst of all, the top configuration turns up energetically favorable. The genesis of magnetism begins with the interplay of Fe-3d states interacting with C-2p states in the environs of the doping site, which leads to band shifting at Fermi level (EF) and thus inducing the magnetic response in bilayer graphene.