ELECTRONIC PROPERTIES OF ZNS NANOWIRES – AN AB-INITIO

Abstract

The present study revolves around exploration of structural dependence of electronic properties of ZnS nanowire. For this purpose the shapes under consideration are 2_atom linear wire, 2_atom zigzag wire, 4_atom square wire and 6_atom hexagonal wire for ZnS. ABINIT code has been used for the study. The band structure, geometrical optimization & stability of proposed structures have been studied. 2_atom zigzag wire structure has come out to be comparatively more stable than other proposed structures while the findings of the study for band structure reveals that ZnS  nanowires  may have conducting, semi conducting or insulating nature which depends on  the proposed shape of the nanowire.