Eco-designed material for next-generation electronics: Mn-doped EuS₂ bridging green photovoltaics and energy applications

This study employs first-principles calculations to investigate the multifunctional capabilities of Mn-doped EuS₂, demonstrating its potential for photovoltaic applications. The material exhibits optimized optoelectronic properties with a tunable bandgap (0.25–1.0 eV) and strong visible-light absorption. EuS₂: Mn shows outstanding characteristics including high Curie temperature, near-perfect spin polarization, and optimal spin transport properties. Mechanically, it combines high bulk modulus with excellent ductility and thermal stability of materials in both mechanical resilience and spintronic functionality. The robust phonon dispersion and spin-phonon coupling further confirm its stability for device operation, while its compatible lattice parameters (a = 5.92 Å) enable seamless integration with standard semiconductors. These comprehensive properties position EuS₂: Mn as a uniquely versatile material capable of bridging photovoltaic energy conversion and non-volatile memory technologies in next-generation integrated systems.