Phagraphene: A Low-Energy Graphene Allotrope Composed of 5鈥?鈥? Carbon Rings with Distorted Dirac Cones

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• 作者：Zhenhai Wang ; Xiang-Feng Zhou ; Xiaoming Zhang ; Qiang Zhu ; Huafeng Dong ; Mingwen Zhao ; Artem R. Oganov
• 刊名：Nano Letters
• 出版年：2015
• 出版时间：September 9, 2015
• 年：2015
• 卷：15
• 期：9
• 页码：6182-6186
• 全文大小：362K
• ISSN：1530-6992

文摘

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [f忙鈥檊r忙fi: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 sp²-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.