Band structure of hydrogenated Si nanosheets and nanotubes
arXiv:1101.4212 · doi:10.1088/0953-8984/23/14/145502
Abstract
The band structure of fully hydrogenated Si nanosheets and nanotubes are elucidated by the use of an empirical tight-binding model. The hydrogenated Si sheet is a semiconductor with indirect band gap of about 2.2 eV. The symmetries of the wave functions allow us to explain the origin of the gap. We predict that, for certain chiralities, hydrogenated Si nanotubes represent a new type of semiconductor, one with co-existing direct and indirect gaps of exactly the same magnitude. This behavior is different from the Hamada rule established for non-hydrogenated carbon and silicon nanotubes. Comparison to an ab initio calculation is made.
arXiv comment9 pages, 4 figures, to appear in J. Phys.: Condens. Matter
References in corpus (9)
- The electronic properties of graphene
- Two-Dimensional Gas of Massless Dirac Fermions in Graphene
- Two and one-dimensional honeycomb structures of silicon and germanium
- Monolayer honeycomb structures of group IV elements and III-V binary compounds
- Graphane: a two-dimensional hydrocarbon
- Electronic structure of silicon-based nanostructures
- Accurate electronic band gap of pure and functionalized graphane from GW calculations
- Silicon and III-V compound nanotubes: structural and electronic properties
- Graphane Nanoribbons: A Theoretical Study