Insights into the structural, electronic and optical properties of MgA2B4(A = Sc, Y; B = S, Se) spinel compounds: Direct energy band gap materials

Study of pressure induced physical variations in the electronic and optical properties of MgA2Te4 (A = Sc, Y)

“…Interestingly, the materials under pressure show enhancement in the optical conductivity due to increased transition rates because of the closer gap of the valence to conduction band. The bonding and antibonding character of bands closer to the Fermi level, which are especially sensitive to pressure, is primarily responsible for this phenomenon [25,26]. Above the visible region, the optical structures shifted towards higher energy with increase in peak height.…”

“…They demonstrated that MgSc 2 Se 4 might be employed in lithium-ion batteries. Saeed et al [26] used the FP-LAPW+lo (full potential linearized augmented plane wave plus local orbitals) model to analyze spinel compounds of type MgA 2 X 4 . All the compounds were described as direct band gaps and practical optical applications expected owing to its high absorption coefficient.…”