Spin Channels in Functionalized Graphene Nanoribbons

被引：99

作者：

Cantele, Giovanni ^{[1
,2
]}

Lee, Young-Su ^{[3
]}

Ninno, Domenico ^{[1
,2
]}

Marzari, Nicola ^{[4
,5
]}

机构：

[1] Coherentia CNR INFM, I-80126 Naples, Italy

[2] Complesso Univ Monte StAngelo, Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy

[3] Korea Inst Sci & Technol, Mat Sci & Technol Res Div, Seoul 136791, South Korea

[4] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

[5] MIT, Inst Soldier Nanotechnol, Cambridge, MA 02139 USA

来源：

NANO LETTERS | 2009年 / 9卷 / 10期

关键词：

HALF-METALLICITY; HYDROGENATION; TRANSPORT; DEFECTS;

D O I：

10.1021/nl901557x

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We characterize the transport of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects, and vacancies. We find that the edge metallic states are preserved under a variety of chemical environments, while bulk conducting channels can be easily destroyed by either hydrogenation or Ion or electron beams, resulting In devices that can exhibit spin conductance polarization close to unity.

引用

页码：3425 / 3429

页数：5

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