Magnetic Property of OH-Functionalized Single-Wall Carbon Nanotubes
The ab initio spin density functional theory is applied to study the magnetism of OH-functionalized single-wall carbon nanotube (SWCNT). It is noticed the particular systems, where the two functional OH group are close to each other, carry a net magnetic moment in the ground state, which increases with the decrease of the tube–tube distance. The possible mechanism for the magnetism of OH-functionalized SWCNT is the electron–electron interactions induced by the flat bands near the Fermi level.
No Reference information available - sign in for access.
No Citation information available - sign in for access.
No Supplementary Data.
Document Type: Research Article
Publication date: 2008-11-01
More about this publication?
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
- Editorial Board
- Information for Authors
- Submit a Paper
- Subscribe to this Title
- Terms & Conditions
- Ingenta Connect is not responsible for the content or availability of external websites