202 単層カーボンナノチューブの変形についての分子動力学およびバンド構造解析  [in Japanese] Molecular Dynamics Simulations and Band Structure Analyses on Deformation of Single-Walled Carbon Nanotubes  [in Japanese]

The carbon nanotube (CNT), which was discovered by Iijima in 1991,is attracting attention because of its characteristic mechanical and electronic properties, and its application to novel minute devices is expected. It is interesting to investigate change in its electronic property under deformation. However, the electronic property under high strain has not been clarified. In this study, tight-binding semi-empirical band calculations are conducted to elucidate the change in the electronic property of CNTs under deformation. Transition from metallic to semiconducting electrical conductivity is observed under deformation and vice versa.