• 文献标题:   Large and stable band gaps in spin-polarized graphene antidot lattices
  • 文献类型:   Article
  • 作  者:   TROLLE ML, MOLLER US, PEDERSEN TG
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Aalborg Univ
  • 被引频次:   17
  • DOI:   10.1103/PhysRevB.88.195418
  • 出版年:   2013

▎ 摘  要

Introducing a periodic array of holes, i.e., an antidot lattice, in a graphene sheet has been suggested as a route towards the tantalizing objective of "opening the gap" in this otherwise zero-gap semiconductor. Combining density-functional and mean-field Hubbard tight-binding methods, we study the effect of spin polarization on graphene antidot lattices (GALs). Focusing on GALs with extended zigzag edges, we systematically investigate the geometry dependence of spin polarization, electronic structure, and band gaps. A scaling law for the band gap is established, demonstrating marked deviations from that of circular holes without spin polarization. Furthermore, we estimate the robustness of the magnetic ordering against raised temperature and doping and, finally, consider how the optical properties are modified by spin polarization. Our results demonstrate that large, stable band gaps are expected for a range of geometries.