DFT Study of WS-Based Nanotubes Electronic Properties under Torsion Deformations.

In this study, the influence of torsional deformations on the properties of chiral WS-based nanotubes was investigated. All calculations presented in this study were performed using the density functional theory (DFT) and atomic gaussian type orbitals basis set. Nanotubes with chirality indices (8, 2), (12, 3), (24, 6) and (36, 9) corresponding to diameters of 10.