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首页> 外文期刊>Physica status solidi, B. Basic research >Intrinsic half-metallicity of the Stone-Wales edge reconstructed graphene nanoribbons
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Intrinsic half-metallicity of the Stone-Wales edge reconstructed graphene nanoribbons

机译：Stone-Wales边缘重建石墨烯纳米带的本征半金属性

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摘要

Inspired by recent experimental observation of topological line defects along graphene edges, we study the electronic and magnetic properties of the zigzag graphene nanoribbons with Stone-Wales (SW) edge reconstructions. Since the bipartite nature of graphene is broken along the boundary layer due to the SW defects, the ground state exhibits two competing phases. By increasing the onsite Coulomb interaction U above a critical value, the paramagnetic ground state makes a transition to an edge ferromagnetic phase, which is followed by a subsequent transition to an edge antiferromagnetic phase upon further increase of U. We have also demonstrated that for a zigzag graphene nanoribbon with a single SW edge reconstruction, the ground state becomes an intrinsic half-metal for a realistic parameter range of U. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
机译：受最近沿石墨烯边缘的拓扑线缺陷的实验观察的启发，我们使用Stone-Wales（SW）边缘重建技术研究了之字形石墨烯纳米带的电子和磁性。由于SW缺陷，石墨烯的二分性质沿边界层破裂，因此基态表现出两个竞争相。通过将现场库仑相互作用U增加到高于临界值，顺磁性基态会转变为边缘铁磁相，随后随着U的进一步增加而随后转变为边缘反铁磁相。我们还证明了对于锯齿形石墨烯纳米带，具有单个SW边缘重构，对于U的实际参数范围，基态成为本征半金属。（C）2014 WILEY-VCH Verlag GmbH＆Co. KGaA，Weinheim

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