A First Principle Study on Electronic Property of Bismuth Nanotubes

SU Chang-rong; LI Jia-Ming

doi:10.11804/NuclPhysRev.19.02.224

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Article Navigation > Nuclear Physics Review > 2002 > 19(2): 224-226

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

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

A First Principle Study on Electronic Property of Bismuth Nanotubes

doi: 10.11804/NuclPhysRev.19.02.224

(1 Department of Physics; Center for Atomic and Molecular Nanosciences; Tsinghua University; Beijing 100084; Chian; 2 Institute of Physics; Chinese Academy of Sciences; Beijing 100080; China);

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2002-06-20

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.
- bismuth nanotube,
- structural stability,
- band gap,
- first principle molecular dynamics,
- strain energy
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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