Order-Disorder Phase Stabilization by Pressure-Induced Charge Transfer Enhances the Ferroelectric Photovoltaic Effect in Multiferroic BaFe₄O₇.

ABSTRACT: Multiferroic ferroelectric photovoltaic (FPV) materials, combining magnetic and ferroelectric properties, are of paramount importance for optoelectronic and photovoltaic applications. However, optimizing both the remanent polarization and the optical bandgap-key factors for enhanced FPV performance-presents a significant challenge due to their trade-off. This work shows that pressure-induced charge transfer between different metal sites can break this trade-off. Above ≈20 GPa, charge transfer between different trivalent iron (Fe) sites in the multiferroic material BaFe₄O₇ leads to Fe valence disproportionation, FeO₄ tetrahedra disorder, and Jahn-Teller distortion of FeO₆ octahedra. These changes reduce the bandgap, lower resistivity, and enhance

SUBMITTER: Guan J 

PROVIDER: S-EPMC12622448 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature