| Literature DB >> 26262429 |
Zhenhai Wang1,2, Xiang-Feng Zhou2,3, Xiaoming Zhang4, Qiang Zhu2, Huafeng Dong2, Mingwen Zhao4, Artem R Oganov2,5,6,7.
Abstract
Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fæ'græfi: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.Entities:
Keywords: Two-dimensional carbon allotrope; density functional theory; distorted Dirac cones; energy band inversion; evolutionary algorithm; tight binding
Year: 2015 PMID: 26262429 DOI: 10.1021/acs.nanolett.5b02512
Source DB: PubMed Journal: Nano Lett ISSN: 1530-6984 Impact factor: 11.189