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In the paper, high temperature induced phase transformation in chemicallygrown CdO thin films has been demonstrated whereas their correspondingelectronic origin is further investigated by density functional theory. Inparticular, cubic rocksalt to hexagonal wurtzite PT in 900 degree centigradeannealed CdO thin films is confirmed by Xray diffraction , consistent with HighResolution Transmission Electron Microscopy. Such high temperature treatmentalso leads to significant enhancement in optical band gap from 2.2 to 3.2 eV asmanifested by UV-Visible spectroscopy. Moreover, atomic force microscopy andscanning electron microscopy clearly evidence the structural evolution viaformation of nano-sheet network in wurtzite phased CdO films. Furthermore, XrayAbsorption spectra at oxygen k edge revealed a notable shift in inflectionpoint of absorption edge while X-ray Photoelectron spectroscopy of Cd 3d and O1s suggested the gradual reduction in CdO2 phase with increasing annealingtemperature. In addition, different complementary techniques includingRutherford Backscattering, Raman Spectroscopy have also been exploited tounderstand the aforementioned PT and their structural correlation. Finally,molecular dynamics simulation along with density functional theory calculationssuggest that symmetry modification at Brillouin zone boundary provides asuccinct signature for such PT in CdO thin film.

High temperature mediated rocksalt to wurtzite phase transformation in cadmium oxide nano-sheets and their theoretical evidence