Electronic and Geometry Properties of CuInS2 Semiconductor Nanowire

We present a first-principles investigation of the atomic and electronic structures of CuInS2 nanowires. We consider nanowires in the [1-10]growthdirection, with diameter ranging from 10 Å. We find thatunsaturated nanowires are semiconducting in the region of the band gap. For the unsaturated wires there is aconsiderable contraction of theCu-In and In-S bonds lengths at the edge of the wires of 3%. We also calculate the band structure and pdos of nanowirs and bulk state of CuInS2.our result show that energy gap increaes 0.5eV for naowire.

Electronic and Geometry Properties of CuInS2 Semiconductor Nanowire Keywords:

electronic properties , Nanowire , CuInS2 , band structure