Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones

Zhenhai Wang, Xiang Feng Zhou, Xiaoming Zhang, Qiang Zhu, Huafeng Dong, Mingwen Zhao, Artem R. Oganov

Research output: Contribution to journalArticlepeer-review

363 Citations (Scopus)

Abstract

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fægræfi:n], standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is lower in energy than most of the predicted 2D carbon allotropes due to its sp2-binding features and density of atomic packing comparable to graphene. More interestingly, the electronic structure of phagraphene has distorted Dirac cones. The direction-dependent cones are further proved to be robust against external strain with tunable Fermi velocities.

Original languageEnglish
Pages (from-to)6182-6186
Number of pages5
JournalNano Letters
Volume15
Issue number9
DOIs
Publication statusPublished - 9 Sep 2015

Keywords

  • density functional theory
  • distorted Dirac cones
  • energy band inversion
  • evolutionary algorithm
  • tight binding
  • Two-dimensional carbon allotrope

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