Band gap tuning in samarium-modified bismuth titanate ferroelectric via iron doping for photovoltaic applications

The wide band gap of complex oxides is one of the critical challenges restricting their usage in photovoltaic cells. Therefore, examinations of their photoelectric characteristics have increasingly concentrated on materials with a low band gap. This work investigated the effects of iron doping on samarium-modified Bi4Ti3O12-based oxides (BSmT) made via a solid reaction approach to control the band gap of complex oxides. X-ray diffraction (XRD), ultraviolet-visible spectroscopy (UV-Vis), and X-ray photoelectron spectroscopy (XPS) were used to study the synthesized materials' structural, optical, and oxygen vacancies. Doping with Fe atoms significantly increased the tunability of the band gap from 3.20 eV to 1.81 eV without violating symmetry. The tuning of bandgap energy in this system was explained based on structural distortion and the formation of oxygen vacancies. This work examined the ferromagnetism and ferroelectricity ordering of the sintered BSmT:F0% and BSmT:F10% samples at room temperature to demonstrate the multiferroelectricity behavior. The findings indicate unsaturated P-E hysteresis loops driven by domain pinning caused by oxygen vacancy formation near domain boundaries. Simultaneously, significant S-type M-H hysteresis loops showed weak ferromagnetic ordering. The findings in this study are encouraging for the development of intrinsic multiferroics for photovoltaic devices for future applications.