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