Please use this identifier to cite or link to this item:
|Title:||Ab initio study of single-wall BC2 N nanotubes||Authors:||Pan, H.
|Issue Date:||2006||Citation:||Pan, H., Feng, Y.P., Lin, J. (2006). Ab initio study of single-wall BC2 N nanotubes. Physical Review B - Condensed Matter and Materials Physics 74 (4) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.74.045409||Abstract:||First-principles calculations based on a density functional theory were carried out to investigate electronic properties of BC2 N nanotubes. It was found that the strain energy of the BC2 N nanotube depends on the diameter but independent of the chirality of the tube. The electronic properties, however, are closely related to both the diameter and chirality of the tube. Generally, all BC2 N nanotubes, except for a few with very small diameters, are direct gap semiconductors. Both the top valence band and the bottom conduction band are formed by carbon p orbitals normal to the tube surface. © 2006 The American Physical Society.||Source Title:||Physical Review B - Condensed Matter and Materials Physics||URI:||http://scholarbank.nus.edu.sg/handle/10635/95711||ISSN:||10980121||DOI:||10.1103/PhysRevB.74.045409|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Jan 19, 2022
WEB OF SCIENCETM
checked on Jan 12, 2022
checked on Jan 20, 2022
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.