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

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arxiv 1506.04824 v1 pith:3COOLFBK submitted 2015-06-16 cond-mat.mtrl-sci

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

classification cond-mat.mtrl-sci
keywords carbonstructureconesphagrapheneallotropecomposeddiracdistorted
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene, 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-hybridization 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.

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