The structure and electronic property of BN nanotube
β Scribed by Jian-Feng Jia; Hai-Shun Wu; Haijun Jiao
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 332 KB
- Volume
- 381
- Category
- Article
- ISSN
- 0921-4526
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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
Atomic models of two single joints connecting (a) (9, 0) to (5, 5) and (b) (10, 0) to (6, 6) nanotubes have been constructed and relaxed on the computer using a molecular-mechanics model. Each connection is based on a pair of diametrically opposed pentagon and heptagon which bend the structure. The