Stability and morphology-dependence of Sc3+ ions incorporation and substitution kinetics within ZnO host lattice

Abstract

In this study, sol–gel spin coating route was carried out to prepare Scandium doped ZnO thin films with different controlled percentage (1–7%). Particularly, it has been demonstrated, through original conjoint morphological-structural and optical investigations, that some interesting physical properties were induced. Indeed, X-ray diffraction (XRD) analysis shows that (002) preferential crystalline plane for Sc doped ZnO films was kept along with ZnO hexagonal würtzite structure, although Sc doping seemed to cause a decrease in crystallinity. Except for 1 at% Sc doping ratio, optical band gap changes reversely with Urbach energy with a decrease in optical gap and a broadening of the absorption tail. Ab-initio calculations of lattice dynamical properties outlined additional strong hybridization between Sc and O atoms and show the stability of Scandium doped ZnO.