Please use this identifier to cite or link to this item: https://doi.org/10.1166/jctn.2008.1125
Title: Magnetic property of OH-functionalized single-wall carbon nanotubes
Authors: Pan, H. 
Feng, Y.P. 
Lin, J.
Keywords: First-principles calculations
Magnetic properties
OH-functionalized carbon nanotubes
Issue Date: Nov-2008
Citation: Pan, H., Feng, Y.P., Lin, J. (2008-11). Magnetic property of OH-functionalized single-wall carbon nanotubes. Journal of Computational and Theoretical Nanoscience 5 (11) : 2233-2237. ScholarBank@NUS Repository. https://doi.org/10.1166/jctn.2008.1125
Abstract: 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. Copyright © 2008 American Scientific Publishers All rights reserved.
Source Title: Journal of Computational and Theoretical Nanoscience
URI: http://scholarbank.nus.edu.sg/handle/10635/97126
ISSN: 15461955
DOI: 10.1166/jctn.2008.1125
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