Spin Polarized Conductance in Hybrid Graphene Nanoribbons Using 5-7 Defects

被引:55
作者
Botello-Mendez, Andres R. [1 ]
Cruz-Silva, Eduardo [2 ]
Lopez-Urias, Florentino [1 ]
Sumpter, Bobby G. [2 ]
Meunier, Vincent [2 ]
Terrones, Mauricio [1 ]
Terrones, Humberto [1 ]
机构
[1] IPICYT, Lab Nanosci & Nanotechnol Res LINAN, San Luis Potosi 78216, Mexico
[2] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA
关键词
graphene; nanoribbons; magnetism; quantum transport; half metallicity; ab initio; TRANSPORT; STATES;
D O I
10.1021/nn900614x
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present a class of intramolecular graphene heterojunctions and use first-principles density functional calculations to describe their electronic, magnetic, and transport properties. The hybrid graphene and hybrid graphene nanoribbons have both armchair and zigzag features that are separated by an interface made up of pentagonal and heptagonal carbon rings. Contrary to conventional graphene sheets, the computed electronic density of states indicates that all hybrid graphene and nanoribbon systems are metallic. Hybrid nanoribbons are found to exhibit a remarkable width-dependent magnetic behavior and behave as spin polarized conductors.
引用
收藏
页码:3606 / 3612
页数:7
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