2012/04/11 by Joelson Cott Garcia, J. C. Garcia, L. V. C. Assali +5
Engineering · Materials Science · Physics and Astronomy · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Gas Sensing Nanomaterials and Sensors #Materials Science (cond-mat.mtrl-sci) #ZnO doping and properties #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1204.2534
arxiv created 2012/04/11 · openalex publication_date 2012/04/11 · arxiv updated 2012/04/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We performed an \it ab initio investigation on the properties of rutile tin oxide (SnOx) nanowires. We computed the wire properties determining the equilibrium geometries, binding energies and electronic band structures for several wire dimensions and surface facet configurations. The results allowed to establish scaling laws for the structural properties, in terms of the nanowire perimeters. The results also showed that the surface states control most of the electronic properties of the nanowires. Oxygen incorporation in the nanowire surfaces passivated the surface-related electronic states, and the resulting quantum properties and scaling laws were fully consistent with electrons confined inside the nanowire. Additionally, oxygen incorporation in the wire surfaces generated an unbalanced concentration of spin up and down electrons, leading to magnetic states for the nanowires.