Spin Channels in Functionalized Graphene Nanoribbons

Spin Channels in Functionalized Graphene Nanoribbons

We characterize the transport properties 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 p...

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Veröffentlicht in:Nano letters 2009-10, Vol.9 (10), p.3425-3429
Hauptverfasser: Cantele, Giovanni, Lee, Young-Su, Ninno, Domenico, Marzari, Nicola
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Sprache:eng
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Condensed matter: electronic structure, electrical, magnetic, and optical properties
Cross-disciplinary physics: materials science
rheology
Electron states
Exact sciences and technology
Fullerenes and related materials
diamonds, graphite
Materials science
Methods of electronic structure calculations
Physics
Specific materials
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container_end_page 3429
container_issue 10
container_start_page 3425
container_title Nano letters
container_volume 9
creator Cantele, Giovanni
Lee, Young-Su
Ninno, Domenico
Marzari, Nicola
description We characterize the transport properties 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.
doi_str_mv 10.1021/nl901557x
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subjects Condensed matter: electronic structure, electrical, magnetic, and optical properties
Cross-disciplinary physics: materials science
rheology
Electron states
Exact sciences and technology
Fullerenes and related materials
diamonds, graphite
Materials science
Methods of electronic structure calculations
Physics
Specific materials
title Spin Channels in Functionalized Graphene Nanoribbons
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