• 文献标题:   Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones
  • 文献类型:   Article
  • 作  者:   WANG ZH, ZHOU XF, ZHANG XM, ZHU Q, DONG HF, ZHAO MW, OGANOV AR
  • 作者关键词:   twodimensional carbon allotrope, distorted dirac cone, evolutionary algorithm, density functional theory, tight binding, energy band inversion
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Nanjing Univ Posts Telecommun
  • 被引频次:   153
  • DOI:   10.1021/acs.nanolett.5b02512
  • 出版年:   2015

▎ 摘  要

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fae'graefi: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 sp(2)-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.