2007/09/10 by Gunn Kim, Kim, Gunn, Suklyun Hong +1
Engineering · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Nanowire Synthesis and Applications #Semiconductor materials and interfaces #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.0709.1299
5 figures
arxiv created 2007/09/10 · openalex publication_date 2007/09/10 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a first-principle study of geometrical and electronic structure of hexagonal single-walled silicon nanotubes with a monovacancy or a substitutional defect. The C, Al or P atoms are chosen as substitutional impurities. It is found that the defect such as a monovacancy or a substitutional impurity results in deformation of the hexagonal single-walled silicon nanotube. In both cases, a relatively localized unoccupied state near the Fermi level occurs due to this local deformation. The difference in geometrical and electronic properties of different substitutional impurities is discussed.