Year: 2005
Type: article
Abstract: 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.
Source: Applied Physics Letters
DOI: 10.1063/1.1890477
Authors: R. Q. Wu, L. Liu, G. W. Peng, Y. P. Feng
Institution: National University of Singapore
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1806628095