Abstract

First principle density function theory based approach has been used to analyze the structural stability and electronic properties of ZnO nanowire in the zincblende (B3) type phase. The stability of the material has been analyzed using local density approximation (LDA) with the Perdew-Zunger (PZ) parameterization. The study found that the B3 type phase of ZnO nanowire is stable at different diameters and in comparison to its bulk semiconducting counterpart, the nanowire of the same is metallic in all the three diameters 0.4nm, 0.6nm and 0.8nm, taken into consideration.