TITLE

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

AUTHOR(S)
Du, A. J.; Chen, Y.; Lu, G. Q.; Smith, Sean C.
PUB. DATE
August 2008
SOURCE
Applied Physics Letters;8/18/2008, Vol. 93 Issue 7, p073101
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
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 state, with the B-doped tubes displaying half-metallic behavior even in the absence of an electric field. Aside of the intrinsic interest of these results, an important avenue for development of CNT-based spintronic is suggested.
ACCESSION #
34135676

 

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