A First Principle Study on Electronic Property of Bismuth Nanotubes
doi: 10.11804/NuclPhysRev.19.02.224
- Received Date: 1900-01-01
- Rev Recd Date: 1900-01-01
- Publish Date: 2002-06-20
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Key words:
- bismuth nanotube /
- structural stability /
- band gap /
- first principle molecular dynamics /
- strain energy
Abstract: A first principle molecular dynamics with density functional theory and ultra-soft pseudopotential has been performed on the bismuth nanotubes. The strain energies are found to follow the classical 1/R 2 strain law. The bismuth nanotubes are expected as semi-conductor with the band gaps around 0.7 - 0.8 eV.
Citation: | SU Chang-rong, LI Jia-Ming. A First Principle Study on Electronic Property of Bismuth Nanotubes[J]. Nuclear Physics Review, 2002, 19(2): 224-226. doi: 10.11804/NuclPhysRev.19.02.224 |