Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones
Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones
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Phagraphene：一种由 5-6-7 碳环和扭曲狄拉克锥体组成的低能石墨烯同素异形体
DOI：
10.1021/acs.nanolett.5b02512
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发表时间：
2015-09-01
期刊：
影响因子：
10.8
通讯作者：
Oganov, Artem R.
中科院分区：
文献类型：
--
作者：
Wang, Zhenhai;Zhou, Xiang-Feng;Oganov, Artem R.
通过系统的进化结构搜索，我们提出了一种新的碳同素异形体，phagraphene [fae'graefi:n]，代表penta-hexa-hepta-graphene，因为该结构由5-6-7个碳环组成。由于其sp(2)结合特征和与石墨烯相当的原子堆积密度，这种二维（2D）碳结构的能量低于大多数预测的二维碳同素异形体。更有趣的是，石墨烯的电子结构扭曲了狄拉克锥。进一步证明了方向相关锥在费米速度可调的情况下对外部应变具有鲁棒性。
Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fae'graefi: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.