Electronic structure of collapsed C, BN, and BC3 nanotubes
β Scribed by Yong-Hyun Kim; H.-S. Sim; K.J. Chang
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 574 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1567-1739
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π SIMILAR VOLUMES
Using a molecular cluster with 71 atoms, we studied the electronic and structural properties of nitrogen vacancy, boron antisite, and oxygen in cubic boron nitride through an ab initio HartreeαFock calculation. We found that all defects introduce a deep state above the middle-energy gap. These defec
We have performed density functional theory (DFT) calculations to investigate the properties of the electronic structure of the oxygen (O) terminated zigzag boron nitride nanotubes (BNNTs). To this end, the atoms of the tips of the representative (6, 0) BNNT are doped by the O atoms. Electric field