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Half metallicity in a zigzag double-walled nanotube nanodot: An ab initio prediction

Du, Ai Jun; Zhu, Zhong Hua; Sun, C H; Chen, Ying; Lu, Gaoqing Max; Smith, Sean C

Description

Ab initio density functional calculations were performed to study finite-length zigzag (7, 0) @ (16, 0) double-walled carbon nanotubes (DWCNTs) with H-termination at the open ends. We find that such a DWCNT nanodot displays a very large magnetic moment at the zigzag edges and the ground state displays symmetric anti-ferromagnetic coupling. When an external electric field is applied along the direction of tube axis, a gap is opened for one spin channel, whereas another spin channel remains...[Show more]

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
URI: http://hdl.handle.net/1885/56077
Source: Chemical Physics Letters
DOI: 10.1016/j.cplett.2008.12.043

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