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. and Smith, Sean C. 2009, Half metallicity in a zigzag double-walled nanotube nanodot : an ab initio prediction, Chemical physics letters, vol. 468, no. 4-6, pp. 257-259, doi: 10.1016/j.cplett.2008.12.043.

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Title Half metallicity in a zigzag double-walled nanotube nanodot : an ab initio prediction
Author(s) Du, A J.
Zhu, Z. H.
Sun, C. H.
Chen, Y.ORCID iD for Chen, Y. orcid.org/0000-0002-7322-2224
Lu, G. Q.
Smith, Sean C.
Journal name Chemical physics letters
Volume number 468
Issue number 4-6
Start page 257
End page 259
Total pages 3
Publisher Elsevier B V
Place of publication Amsterdam, The Netherlands
Publication date 2009-01
ISSN 0009-2614
Summary 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. © 2008 Elsevier B.V. All rights reserved.
Language eng
DOI 10.1016/j.cplett.2008.12.043
Field of Research 100708 Nanomaterials
Socio Economic Objective 970110 Expanding Knowledge in Technology
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2008 Elsevier B.V.
Persistent URL http://hdl.handle.net/10536/DRO/DU:30029173

Document type: Journal Article
Collection: Institute for Technology Research and Innovation
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