COMBINED EXPERIMENTAL AND FIRST-PRINCIPLES STUDY OF STRUCTURAL, THERMOELECTRIC, AND SPINTRONIC PROPERTIES OF PEROVSKITE OXIDES AND HALIDE PEROVSKITE (MAPBI₃)

Abstract

Perovskite materials have become attractive options for next-generation thermoelectric and spintronic devices due to their adaptable crystal structure and adjustable electrical, magnetic, and thermal characteristics. Using computational modeling and experimental data, this work investigates the structural, thermoelectric, and spintronic properties of typical perovskite oxides (SrTiO₃, CaMnO₃, and BaSnO₃) and halide perovskites (MAPbI₃). Thermoelectric experiments showed that rare-earth doping in CaMnO₃ increases electrical conductivity and decreases lattice thermal conductivity by phonon scattering, whereas Nb-doped SrTiO₃ obtains ZT ≈ 0.3–0.4 at high temperatures. BaSnO₃ showed promise for transparent high-temperature devices with its reasonable power factors and promising stability. On the spintronic front, Sr₂FeMoO₆ maintained high Curie temperature and tunneling magnetoresistance, La₁₋ₓSrₓMnO₃ films displayed enormous magnetoresistance with about 100% spin polarization, and MAPbI₃ showed Rashba spin splitting, allowing spin manipulation by thermal and electric methods. Perovskite heterostructures were also shown to exhibit coupled thermoelectric–spintronic phenomena, such as the spin Seebeck and anomalous Nernst effects, underscoring its promise in spin caloritronics. These discoveries position perovskites as multipurpose materials that can combine spin-based information processing, waste-heat recovery, and energy harvesting, opening the door for low-power and sustainable electronic devices.