Effect of Zn substitution on tellurium-based Sr2Ni1-xZnxTeO6 double perovskite: experimental and first principle DFT–LDA+U calculation / Fatasya Izreen Hanim Alias

Double perovskite materials such as Sr2NiTeO6 shows great interest in the science community since 1940s due to their excellent properties and novel features. The Sr2NiTeO6 could provide advantages in current applications such as in electronic devices. The substitution of Zn may enhance the dielectric properties of this material since the small in ionic size distorted the structural orientation and thus effect the dielectric properties of the materials. In this study, a series of tellurium-based double perovskite, Sr2Ni1–xZnxTeO6 (x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) were prepared using conventional solid-state method in order to investigate their structural, optical and dielectric properties. The Rietveld refinement of X-ray diffraction data shows that all compounds were crystallised in monoclinic symmetry with the I2/m space group.