Prediction study of structural, thermal, and optical characterization of Co0.6Zn0.4Fe2O4 cubic spinel synthesized via sol–gel method for energy storage

Abstract

In this comprehensive study, we synthesized Co_0.6Zn_0.4Fe₂O₄ cubic spinel via the sol–gel method and characterized its structural, thermal, and optical properties. X-ray diffraction (XRD) verified the crystallization within the cubic Fd-3 m space group, and a detailed analysis determined a crystallite size ranging from 47 to 58 nm. Notably, the calculated crystallite size of 49.4 nm revealed inherent limitations in Scherer’s formula, which does not account for intrinsic strain effects from crystal defects, grain boundaries, and stacking. Optical investigations, utilizing UV–Vis absorption spectroscopy, unveiled a direct optical band gap of 1.26 eV, suggesting semiconductor behavior. The material’s thermal conductivity was found to be highly temperature sensitive, reaching its maximum value for both spin orientations at 900 K, with a quantified value of ke/τ = 4 × 1014 W/(mKs). This thermal behavior, along with the observed disorder (Eu value of 1.41 eV) and higher Urbach energy, offers valuable insights into the material’s response under varying temperature conditions, essential for applications in diverse technological domains.