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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

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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...[Show more]

dc.contributor.authorDu, Ai Jun
dc.contributor.authorZhu, Zhong Hua
dc.contributor.authorSun, C H
dc.contributor.authorChen, Ying
dc.contributor.authorLu, Gaoqing Max
dc.contributor.authorSmith, Sean C
dc.date.accessioned2015-12-10T22:34:57Z
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/1885/56077
dc.description.abstractAb 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.
dc.publisherElsevier
dc.sourceChemical Physics Letters
dc.subjectKeywords: Electric fields; Magnetic moments; Materials properties; Multiwalled carbon nanotubes (MWCN); Nanostructured materials; Nanotubes; Spin dynamics; Ab initio; Ab initio predictions; Density-functional calculations; External electric fields; Ferromagnetic co
dc.titleHalf metallicity in a zigzag double-walled nanotube nanodot: An ab initio prediction
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume468
dc.date.issued2009
local.identifier.absfor020203 - Particle Physics
local.identifier.ariespublicationu4222028xPUB350
local.type.statusPublished Version
local.contributor.affiliationDu, Ai Jun, University of Queensland
local.contributor.affiliationZhu, Zhong Hua, University of Queensland
local.contributor.affiliationSun, C H, University of Queensland
local.contributor.affiliationChen, Ying, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationLu, Gaoqing Max, University of Queensland
local.contributor.affiliationSmith, Sean C, University of Queensland
local.description.embargo2037-12-31
local.bibliographicCitation.issue4
local.bibliographicCitation.startpage257
local.bibliographicCitation.lastpage259
local.identifier.doi10.1016/j.cplett.2008.12.043
dc.date.updated2016-02-24T10:46:26Z
local.identifier.scopusID2-s2.0-58149378013
CollectionsANU Research Publications

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