Structure of new sp2+sp3 hybrid carbon phases by means of alignmenting of armchair single-walled carbon nanotubes

Model investigations of new sp2+sp3 carbon phases that can be modeled as a result of partially alignmenting of armchair single-walled carbon nanotubes (SWNTs) using density functional theory (DFT) is performed. As a result of the simulation revealed that there are five stable structures with equivalent atom positions. Geometrically optimized structure and structural parameters of such phases were found.