2006 | OriginalPaper | Buchkapitel
BAND STRUCTURE OF CARBON NANOTUBES EMBEDDED IN A CRYSTAL MATRIX
verfasst von : P. N. D’YACHKOV, D. V. MAKAEV
Erschienen in: Carbon Nanotubes
Verlag: Springer Netherlands
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The electronic structure of single-wall carbon nanotubes (SWCNTs) embedded in a crystal matrix is calculated in terms of a linear augmented cylindrical wave method (LACW). In the case of armchair nanotubes, the delocalization of the nanotube electrons into the matrix region is responsible for the high energy shift of the σ-states and growth of the electron density of states at the Fermi level. For the semiconducting nanotubes, it causes a decay of the minimum energy gap and a formation of a metallic state.