Biomedical applications of double perovskites SrTmNbO and SrNdNbO: A pathway to innovative healthcare solutions.

The development of multifunctional materials is crucial for addressing the growing demands in medical and sustainable energy applications. In this context, rare-earth-based double perovskites have garnered attention due to their tunable physical properties. This study explored the structural, electronic, optical, mechanical, thermal, and thermoelectric properties of SrNdNbO and SrTmNbO for potential applications in medical and sustainable energy technologies. Both double perovskites exhibited half-metallic behavior with direct band gaps (3.19 eV for SrNdNbO and 3.09 eV for SrTmNbO), making them suitable for UV optoelectronics, including photodetectors and biosensors. Both SrRENbO (RE= Nd, Tm) double perovskites demonstrated better thermoelectric efficiency , while SrNdNbO showed a higher Seebeck coefficient and enhanced UV response, suitable for antibacterial or sterilization applications. Their mechanical stability supported potential use in implantable or radiation-shielding devices. These multifunctional properties underscore their promise for advanced medical and energy-related technologies.