Linear augmented cylindrical wave method for electronic structure of perfect and impurity single-wall, double-wall, and embedded carbon nanotubes

摘要

The results of study of the electronic structure of single-walled and double-walled nanotubes, both pure and doped, isolated and embedded into a crystal matrix calculated using the nonrelativistic and relativistic linear augmented cylindrical wave method are presented. The method uses the local density functional approximation and the muffin-tin approximation for the electron potential and is implemented as computer program package.