Tubular structures of silicon -: art. no. 193409

In this paper we demonstrate, using density-functional tight-binding theory, that certain classes of silicon-based tubular nanostructures are stable and energetically viable. Specifically, we consider silicide and SiH nanotubes. The structures adopted by these nanotubes are very similar to those of previously reported phosphorus nanotubes. As in that case, the Si-based nanotubes have a semiconducting gap, which in contrast to carbon nanotubes is largely independent of the tube diameter and chirality. We further report on the mechanical properties of the Si-based nanotubes and suggest possible routes towards their synthesis.