Magnetism in BN nanotubes induced by carbon doping

Wu, R. Q.; Liu, L.; Peng, G. W.; Feng, Y. P.
March 2005
Applied Physics Letters;3/21/2005, Vol. 86 Issue 12, p122510
Academic Journal
We performed ab initio calculation on the pristine and carbon-doped (5,5) and (9,0) BN nanotubes. It was found that carbon substitution for either a single boron or a single nitrogen atom in the BN nanotubes can induce spontaneous magnetization. Calculations based on density functional theory with the local spin density approximation on the electronic band structure revealed a spin polarized, dispersionless band near the Fermi energy. The magnetization can be attributed to the carbon 2p electron. Compared to other theoretical models of light-element or metal-free magnetic materials, the carbon-doped BN nanotubes are more experimentally accessible and can be potentially useful.


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