Please use this identifier to cite or link to this item: https://doi.org/10.1021/ct7003116
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dc.titleElectronic structures of AlGaN2 nanotubes and AlN-GaN nanotube superlattice
dc.contributor.authorPan, H.
dc.contributor.authorFeng, Y.P.
dc.contributor.authorLin, J.
dc.date.accessioned2014-10-16T09:23:25Z
dc.date.available2014-10-16T09:23:25Z
dc.date.issued2008-05-13
dc.identifier.citationPan, H., Feng, Y.P., Lin, J. (2008-05-13). Electronic structures of AlGaN2 nanotubes and AlN-GaN nanotube superlattice. Journal of Chemical Theory and Computation 4 (5) : 703-707. ScholarBank@NUS Repository. https://doi.org/10.1021/ct7003116
dc.identifier.issn15499618
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/96436
dc.description.abstractThe electronic properties of single-wall AlGaN2 nanotubes were investigated using first-principles calculations and generalized gradient approximation. All AlGaN2 nanotubes considered are semiconductors, but their band structures depend on their chirality and size due to curvature effect and symmetry. The zigzag AlGaN2 nanotubes are direct band gap semiconductors, while armchair AlGaN2 nanotubes are indirect band gap semiconductors. The calculations on the electronic properties of AIN-GaN nanotubes superlattice show that the band gap engineering can be realized by changing the composition of the AIN-GaN nanotubes superlattice. © 2008 American Chemical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/ct7003116
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1021/ct7003116
dc.description.sourcetitleJournal of Chemical Theory and Computation
dc.description.volume4
dc.description.issue5
dc.description.page703-707
dc.identifier.isiut000255802700004
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