Structural and Electronic Properties of Sn Nanostructures

We have investigated the structural stability and electronic properties of Sn nanocrystals (NC) and nanowires (NW) using generalized gradient approximation (GGA) applied within the framework of density functional theory. The β-Sn is found to be more stable than α-Sn for NC/NW. The ground state properties such as lattice parameter, bulk modulus and pressure derivatives have been calculated for all the nanostructures. The bulk modulus analysis indicates towards the softening of material at reduced dimensions. Interesting results have been observed in the electronic properties of these nanostructures, where β-Sn NW is showing semiconducting behavior whereas its NC is metallic in nature.