Title :
Linear augmented cylindrical wave method for electronic structure of perfect and impurity single-wall, double-wall, and embedded carbon nanotubes
Author_Institution :
Kurnakov Inst. of Gen. & Inorg. Chem., Moscow, Russia
Abstract :
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.
Keywords :
approximation theory; carbon nanotubes; electronic engineering computing; electronic structure; matrix algebra; computer program package; crystal matrix; double-wall carbon nanotubes; electron potential; electronic structure; embedded carbon nanotubes; linear augmented cylindrical wave method; local density functional approximation; muffin-tin approximation; single-wall carbon nanotubes; Carbon nanotubes; Electric potential; Electron tubes; Impurities; Mathematical model; Periodic structures;
Conference_Titel :
Electromagnetics in Advanced Applications (ICEAA), 2013 International Conference on
Conference_Location :
Torino
Print_ISBN :
978-1-4673-5705-0
DOI :
10.1109/ICEAA.2013.6632215
