Multifunctional properties of a novel Ba2MnV0.7Zr0.3O6 multiferroic double perovskite

Abstract

A novel double perovskite, Ba₂MnV_0.7Zr_0.3O₆, was successfully synthesized via a modified sol–gel method using egg white as a chelating agent and annulled at a temperature of 800 °C. Rietveld refinement of XRD data confirms a monoclinic structure (in the P2₁/m space group) with an average crystallite size of 56 nm, while EDX analysis verifies the phase purity. Magnetic measurements reveal ferrimagnetic behavior (T_C = 42 K, θ_CW = −80 K). Ferroelectric behavior was observed at low temperature with a remanent polarization (P_r) of 5.48 μC cm⁻². DFT calculations confirm the material's stability and semi-metallic nature, showing a narrow band gap of 1.3 eV. Thermoelectric property analysis revealed promising behavior, with the ultimate ZT peak reaching 0.95 at 300 K. For gas sensing, the compound exhibited fast response/recovery times (ethanol: 48.74 s/49.67 s; acetone: 52.39 s/56.32 s) at an optimal operating temperature of 220 °C, along with high sensitivity to low gas concentrations. These multifunctional properties (magnetic, ferroelectric, and gas sensing) position this material as a promising candidate for advanced technological applications.