Comparative study of optical properties of ZnO Zinc Blend and Rock Salt structures, TB- mBJ and GGA approximations

Abstract

Currently, the most used transparent conductive oxide (TCO) is the indium tin oxide (ITO). The need for a material that can replace this TCO comes in many studies. Among these materials, we have discussed zinc oxide (ZnO). This work is carried out using full-potential linear augmented plane wave (FP-LAPW) and implemented in the Wien2k. Since the ZnO alloy has different structures, this study aims to discuss the optoelectronic behavior of the F doped ZnO with its different phases and the doping concentration variation where the amount of F is 3.125%, 6.25% and 12.5%. in the visible light range. The comparison between the Rock Salt and Zinc Blend structures gives a starting point to be compared with the third structure which is Wurtzite. TB-mBJ was applied to compare the promising results found by the GGA approximation. Its optoelectronic properties make fluorine-doped ZnO a promising candidate for optoelectronic applications.