Structure and magnetic properties of adatoms on carbon nanotubes
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© 2004 American Physical Society (APS). This is the accepted version of the following article: Lehtinen, P. O. & Foster, A. S. & Ayuela, A. & Vehviläinen, T. T. & Nieminen, Risto M. 2004. Structure and magnetic properties of adatoms on carbon nanotubes. Physical Review B. Volume 69, Issue 15. 155422/1-5. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.155422, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.69.155422.
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2004
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Mcode
Degree programme
Language
en
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155422/1-5
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Physical Review B, Volume 69, Issue 15
Abstract
We use ab initio methods to calculate the physical and electronic properties of carbon adatoms on different characteristic carbon nanotubes. We found that for every tube the energetically favored adsorption geometry is a “bridgelike” structure between two surface carbons, perpendicular to the long axis of the tube. For adsorption perpendicular or parallel to the axis, the calculations show that the adatom is spin polarized, although the magnitude of the magnetic moment depends mainly on the electronic structure of the nanotube itself.Description
Keywords
carbon nanotubes, properties, magnetism
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Citation
Lehtinen, P. O. & Foster, A. S. & Ayuela, A. & Vehviläinen, T. T. & Nieminen, Risto M. 2004. Structure and magnetic properties of adatoms on carbon nanotubes. Physical Review B. Volume 69, Issue 15. 155422/1-5. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.155422.