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Abstract:
The structural and electronic properties or sheets and nanotubes or boron are investigated using density functional theory. The calculations predict the stability or a novel reconstructed {1 2 2 1} sheet over the idealized triangular {1 2 1 2} sheet. Nanotubes formed by wrapping the half-metallic {1 2 2 1} sheet show a curvature-induced transition in their electronic properties. Analysis of the charge density reveals a mixed metallic- and covalent-type of bonding in the reconstructed {1 2 2 1} sheet and the corresponding nanotubes, in contrast to metallic-type bonding in the idealized {1 2 1 2} sheet and its analogous nanotubes.
| Limitations: |
 APPROVED FOR PUBLIC RELEASE |
| Description: |
Journal article |
| Pages: |
7 |
| Report Date: |
01 DEC 2005 |
| Contract Number: |
DAAD1703C0115 |
| Report Number: |
A310544 |
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Keywords relating to this report:
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