Structural, electronic and optical properties of armchair silicon nanotube of chirality (6,6)

Tuned electronic, optical and mechanical properties of pristine and hetero nanotubes of group IV elements (C, Si and Ge)

“…In our study we have used well tested [37,41,42] Troullier Martin, norm-conserving, relativistic pseudopotentials [43,44] with valence atomic configuration s p 2 2 Si and Ge respectively. The exchange and correlation energies were treated within the generalized gradient approximation (GGA) according to the PBEsol [45] parametrization.…”

“…There is a need to systematically study the optical and mechanical properties of these pristine and hetero nanotubes which have only been explored for pristine SiNT [37]. In this study our aim is to compare, the pristine nanotubes of group IV elements (C, Si and Ge) and their heterostructures and their relative stabilities in terms of their characteristic electronic structures.…”