• 文献标题:   Bandgap Opening in Graphene Antidot Lattices: The Missing Half
  • 文献类型:   Article
  • 作  者:   OUYANG FP, PENG SL, LIU ZF, LIU ZR
  • 作者关键词:   graphene, antidot lattice, bandgap, electronic structure, firstprinciples calculation, tightbinding model
  • 出版物名称:   ACS NANO
  • ISSN:   1936-0851 EI 1936-086X
  • 通讯作者地址:   Peking Univ
  • 被引频次:   113
  • DOI:   10.1021/nn200580w
  • 出版年:   2011

▎ 摘  要

The electronic structure of graphene antidot lattices (GALs) with zigzag hole edges was studied with first-principles calculations. It was revealed that half of the possible GAL patterns were unintentionally missed in the usual construction models used in earlier studies. With the complete models, the bandgap of the GALs was sensitive to the width W of the wall between the neighboring holes. A nonzero bandgap was opened in hexagonal GALs with even W, while the bandgap remained closed in those with odd W. Similar alternating gap opening/closing with W was also demonstrated in rhombohedral GALs. Moreover, analytical solutions of single-walled GALs were derived based on a tight-binding model to determine the location of the Dirac points and the energy dispersion, which confirmed the unique effect in GALs.