Conformal Epitaxy Zno/Gaox Superlattices : From Theory to Experiment

The growth of epitaxial heterostructure is vital to the industrial and science community. However, due to the lattice mismatch and dissimilar thermal expansion coefficient, it is not easy to realize such engineering. This motivates us to try to understand the key factors in the field of crystal growth. This paper, trying to solve this question, from the theoretical DFT calculation, finds out that the p-d hybridization influence the bond length at the interface. The facts that change of bond length also correlate to the charge transfer, which enhances the bonding strength at the interface. From the bonding analysis of electron localization function (ELF), we conclude that the ZnO/GaO x superlattice can be artificially man-made in the lab scale. Then, we grow the materials with the atomic layer deposition (ALD). With the materials identification of X-ray diffraction (XRD), we find that ZnO/GaO x superlattice is successfully created. This theory to experiment strategy could be benefit to the materials design