Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.72.085415
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dc.titleAb initio study of electronic and optical properties of multiwall carbon nanotube structures made up of a single rolled-up graphite sheet
dc.contributor.authorPan, H.
dc.contributor.authorFeng, Y.
dc.contributor.authorLin, J.
dc.date.accessioned2014-10-16T09:14:54Z
dc.date.available2014-10-16T09:14:54Z
dc.date.issued2005-08-15
dc.identifier.citationPan, H., Feng, Y., Lin, J. (2005-08-15). Ab initio study of electronic and optical properties of multiwall carbon nanotube structures made up of a single rolled-up graphite sheet. Physical Review B - Condensed Matter and Materials Physics 72 (8) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.72.085415
dc.identifier.issn10980121
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/95708
dc.description.abstractThe electronic and optical properties of carbon nanoscrolls were investigated using a first-principles method based on density functional theory and the local density approximation (LDA). Two models of different sizes were considered and their properties were compared. The nanoscrolls were found to be metallic and semimetallic within the LDA. The energy bands near the Fermi level were ascribed to the bonding unsaturation at the edges of the carbon nanoscroll. Increasing the size of the nanoscroll resulted in decoupling between the p orbitals at the inner and outer edges. The calculated reflection spectra and loss function showed features of both single-wall carbon and multiwall carbon nanotubes. © 2005 The American Physical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1103/PhysRevB.72.085415
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1103/PhysRevB.72.085415
dc.description.sourcetitlePhysical Review B - Condensed Matter and Materials Physics
dc.description.volume72
dc.description.issue8
dc.description.page-
dc.description.codenPRBMD
dc.identifier.isiut000231564600142
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