Impact of samarium on magnetic and optoelectronic properties of magnesium-based MgSm2X4 (X = S and Se) spinels for spintronics.

Investigating novel compounds has become necessary due to the need for sophisticated materials in optoelectronic devices and spintronics. Because of their unique properties, magnesium-based spinels MgSm₂X₄ (X = S and Se) are very promising for these applications. We used the spin-polarized PBEsol for structural properties and the PBEsol functional for mechanical behavior, both using the WIEN2k code. Both compounds' stability in the magnetic and non-magnetic phases was validated by the Birch-Murnaghan equation of state, and their stability in the cubic phase was verified by the Born stability criterion. Their ductile character was shown by the computation of Pugh's ratio and Poisson ratio. Both MgSm₂S₄ and MgSm₂Se₄ display metallic behavior in the spin-up channel and semiconducting behavior in the spin-down channel, indicating a half-metallic nature, according to TB-mBJ potential calculations. With total magnetic moments of 20 μ_B, both materials showed ferromagnetic properties. Samarium ions contributed 5.27 μ_B for MgSm₂S₄ and 5.34 μ_B for MgSm₂Se₄. Furthermore, we computed optical parameters in the energy range of 0 to 15 eV, such as absorption, extinction coefficient, reflectivity, dielectric function, and refractive index. Our results demonstrate the potential of MgSm₂X₄ spinels for future technological developments by revealing their prospective optoelectronic and spintronic applications. [ABSTRACT FROM AUTHOR]