A First Principle Study on Electronic Property of Bismuth Nanotubes
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Graphical Abstract
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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.
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