Unlocking the potential of Pb(Fe0.67W0.33)O3: A multifunctional multiferroic for next-gen magnetocaloric, memory, and supercapacitor technologies

The present work reports the a comprehensive study of the structural, magnetic, and electrochemical properties of Pb(Fe₀.₆₇W₀.₃₃)O₃ (PFWO), highlighting its potential as a multifunctional material for room-temperature magnetocaloric, memory, and energy storage applications. Structural analysis via X-ray diffraction (XRD) and Rietveld refinement confirms a pseudo-cubic perovskite structure (space group Pm -3 m ), supported by Raman spectroscopy that reveals characteristic A₁ g , E g , and 2F₂ g modes due to local lattice distortions. Magnetic susceptibility measurements demonstrate a paramagnetic-to-antiferromagnetic transition at ∼344 K, with weak ferromagnetic ordering below 7 K. The PFWO exhibits a notable magnetocaloric effect, with significant magnetic entropy changes under 1–6 T. Electrochemical performance, evaluated through cyclic voltammetry (CV), galvanostatic charge – discharge (GCD), and electrochemical impedance spectroscopy (EIS), shows a substantial increase (80–110 %) in specific capacitance under a low magnetic field (30 mT), attributed to enhanced charge storage and reduced charge transfer resistance (from 35.47 to 31.59 Ω). Excellent cycling stability is observed over 10,000 cycles. Density functional theory (DFT) calculations were performed and corroborated well with the structural, electronic, vibrational, and magnetic properties of PFWO. The increased specific capacitance is well supported by DFT calculations, attributed to structural disorder or instability. Overall, PFWO is a promising multifunctional multiferroic material with potential applications in room-temperature refrigeration, magnetic memory, and supercapacitors. • The XRD and Raman data confirms the pseudo-cubic structure with local structural distortions. • ZFC and FC curve indicates T N at 344 K, paramagnetic to an antiferromagnetic phase, with a spin-glass below 7K. • Magnetic entropy and memory effect around the T N shows a change in magnetic entropy. • The specific capacitance increased by approximately 80-110% in the presence of a magnetic field (30 mT). • PFWO exhibits the excellent cyclic stability, maintaining about 107% and 87% of its initial capacitance up to 3000 cycles. • DFT calculations were performed on structural and electronic properties of PFWO and corroborated with experimental results.