Dislocations in graphene
Dislocations in graphene
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DOI：
10.1088/1367-2630/10/5/053021
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发表时间：
2008-05-15
影响因子：
3.3
通讯作者：
Vozmediano, Maria A. H.
中科院分区：
文献类型：
--
作者：
Carpio, Ana;Bonilla, Luis L.;Vozmediano, Maria A. H.
我们研究了平面石墨烯中各种弹性缺陷的稳定性和演化，以及最稳定组态的电子性质。两种类型的位错被发现是稳定的：由七角形-五角形对组成的滑移位错和具有悬垂键的八角形位错。与研究最多的碳纳米管不同，斯通·威尔士的缺陷在平面石墨烯中似乎是动态不稳定的。类似的缺陷，其中一个五边形-七角体对相对于另一个垂直位移，被发现是动态稳定的。洗牌位错将产生局部磁矩，这可以为石墨烯的磁性提供一种替代途径。
We study the stability and evolution of various elastic defects in a flat graphene sheet and the electronic properties of the most stable configurations. Two types of dislocations are found to be stable: 'glide' dislocations consisting of heptagon-pentagon pairs, and 'shuffle' dislocations, an octagon with a dangling bond. Unlike the most studied case of carbon nanotubes, Stone Wales defects seem to be dynamically unstable in the planar graphene sheet. Similar defects in which one of the pentagon-heptagon pairs is displaced vertically with respect to the other one are found to be dynamically stable. Shuffle dislocations will give rise to local magnetic moments that can provide an alternative route to magnetism in graphene.