An effective method of tuning conducting properties: First-principles studies on electronic structures of graphene nanomeshes

S. L. Xiu, M. M. Zheng, P. Zhao, Y. Zhang, H. Y. Liu, S. J. Li, G. Chen, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)

Abstract

Based on detailed first-principles investigations of the hexagonal antidot patterned graphene nanomeshes, we have studied the mechanisms of the conducting property modification of graphene. The band-folding analysis shows that the (3n,3m) (n and m are integers) superlattice would have fourfold degeneracy at U point. An effective method by removing this fourfold degeneracy, such as regularly arranging antidots to make the (3n,3m) nanomesh, is proposed to open a sizable bandgap no matter whether the sublattice equivalence keeps or not. In the nanomeshes patterned with the magnetic antidots, the antiferromagnetic coupling adds a quantum parameter to break the sublattice equivalence, resulting in the bandgap opening at the twofold degenerate K (K') point. Our studies also show that the gap width could be tuned by controlling the antidot density. These results could facilitate the fascinating applications of graphene in the next-generation nanoelectronics.

Original languageEnglish
Pages (from-to)646-653
Number of pages8
JournalCarbon
Volume79
Issue number1
DOIs
Publication statusPublished - 2014 Jan 1

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

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