期刊
PHILOSOPHICAL MAGAZINE
卷 94, 期 16, 页码 1841-1858出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/14786435.2014.895875
关键词
graphene; graphene nanoribbons; metallization; boron cluster; ion implantation; localized states; edge magnetism; density functional theory
类别
资金
- DFG [KU 2347/2-2]
- National Research Foundation (NRF) [85972]
- Department of Science and Technology (DST) of South Africa
- Gauteng node of the National Institute of Theoretical Physics (NITheP)
- German Research Foundation (DFG) within the Cluster of Excellence Center for Advancing Electronics Dresden
As a possible way of modifying the intrinsic properties of graphene, we study the doping of graphene by embedded boron clusters with density functional theory. Cluster doping is technologically relevant as the cluster implantation technique can be readily applied to graphene. We find that B-7 clusters embedded into graphene and graphene nanoribbons are structurally stable and locally metallize the system. This is done both by the reduction of the Fermi energy and by the introduction of boron states near the Fermi level. A linear chain of boron clusters forms a metallic wire inside the graphene matrix. In a zigzag edge graphene nanoribbon, the cluster-related states tend to hybridize with the edge and bulk states. The magnetism in boron-doped graphene systems is generally very weak. The presence of boron clusters weakens the edge magnetism in zigzag edge graphene nanoribbon, rather than making the system appropriate for spintronics. Thus, the doping of graphene with the cluster implantation technique might be a viable technique to locally metallize graphene without destroying its attractive bulk properties.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据