Half metallicity in a zigzag double-walled nanotube nanodot : an Ab initio prediction

Du, A.J., Zhu, Z.H., Sun, C.H., Chen, Y., Lu, G.Q., & Smith, S.C. (2009) Half metallicity in a zigzag double-walled nanotube nanodot : an Ab initio prediction. Chemical Physics Letters, 468(4-6), pp. 257-259.

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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 metallic, i.e. half metallicity occurs. Our results suggest an important new avenue for the development of CNT-based spintronic materials with enhanced properties.

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ID Code: 61146
Item Type: Journal Article
Refereed: Yes
DOI: 10.1016/j.cplett.2008.12.043
ISSN: 00092614
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2008 Elsevier B.V.
Copyright Statement: All rights reserved.
Deposited On: 08 Jul 2013 01:45
Last Modified: 23 Jul 2013 04:57

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