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Half metallicity in finite-length zigzag single walled carbon nanotube: A first-principle prediction

Du, Ai Jun; Chen, Ying; Lu, Gaoqing Max; Smith, Sean C

Description

We predict here from first-principle calculations that finite-length (n,0) single walled carbon nanotubes (SWCNTs) with H-termination at the open ends displaying antiferromagnetic coupling when n is greater than 6. An opposite local gating effect of the spin states, i.e., half metallicity, is found under the influence of an external electric field along the direction of tube axis. Remarkably, boron doping of unpassivated SWCNTs at both zigzag edges is found to favor a ferromagnetic ground...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
URI: http://hdl.handle.net/1885/33796
Source: Applied Physics Letters
DOI: 10.1063/1.2970055

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