Keywords: semiconductor surfaces, Bi nanolines, density functional theory, local density approximation, DFT-LDA, InAs(100) surface, scanning tunnelling microscope, STM, nanomaterials, nanotechnology, self assembly, pseudopotentials
Self-assembled Bi nanolines on the InAs(100) surface: a theoretical study
The authors have performed an ab initio theoretical investigation of the stability, atomic geometry and electronic properties of the self-assembled Bi nanolines on the Bi-stabilised InAs(100) surface. The calculations were performed within the local density approximation of the density functional theory, using pseudopotentials to describe the electron-ion interactions. The authors have examined several metastable Bi nanolines arrangements on the top of the Bi-stabilised InAs(100) surface. The authors' total energy calculations suggest that the most stable configuration of the Bi nanolines is formed by Bi dimers parallel to the Bi dimers on the Bi/InAs(100) surface.