Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones.
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.
Peter Grünberg Research Center, Nanjing University of Posts and Telecommunications , Nanjing, Jiangsu 210003, China.|Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, Stony Brook University , Stony Brook, New York 11794, United States.
Zhenhai
Z
Wang
Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, Stony Brook University , Stony Brook, New York 11794, United States.|School of Physics and Key Laboratory of Weak-Light Nonlinear Photonics, Nankai University , Tianjin 300071, China.
Xiang-Feng
XF
Zhou
School of Physics and State Key Laboratory of Crystal Materials, Shandong University , Jinan, Shandong 250100, China.
Xiaoming
X
Zhang
Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, Stony Brook University , Stony Brook, New York 11794, United States.
Qiang
Q
Zhu
Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, Stony Brook University , Stony Brook, New York 11794, United States.
Huafeng
H
Dong
School of Physics and State Key Laboratory of Crystal Materials, Shandong University , Jinan, Shandong 250100, China.
Mingwen
M
Zhao
Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, Stony Brook University , Stony Brook, New York 11794, United States.|Skolkovo Institute of Science and Technology, Skolkovo Innovation Center , Bldg.3, Moscow 143026, Russia.|Moscow Institute of Physics and Technology , 9 Institutskiy Lane, Dolgoprudny City, Moscow Region 141700, Russia.|School of Materials Science, Northwestern Polytechnical University , Xi'an 710072, China.
Artem R
AR
Oganov
Two-dimensional carbon allotrope; density functional theory; distorted Dirac cones; energy band inversion; evolutionary algorithm; tight binding