Phagraphene: A Low-Energy Graphene Allotrope Composed of 5–6–7 Carbon Rings with Distorted Dirac Cones
Zhenhai WangDepartment of Geosciences, Center for Materials
by Design, and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, United StatesXiang‐Feng ZhouDepartment of Geosciences, Center for Materials
by Design, and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, United StatesXiaoming ZhangSchool of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, ChinaQiang ZhuDepartment of Geosciences, Center for Materials
by Design, and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, United StatesHuafeng DongDepartment of Geosciences, Center for Materials
by Design, and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, United StatesMingwen ZhaoSchool of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, ChinaArtem R. OganovDepartment of Geosciences, Center for Materials
by Design, and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, United States
2015en
ABI
Аннотация
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.
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