This work presents a first-principles study of the structural and electronic properties of (Ge₂)₁₋ₓ(InP)ₓ solid solutions across the full composition range (0 ≤ x ≤ 1). Calculations were performed within density functional theory using the all-electron FHI-aims code, with r2SCAN for structural...

This work presents a first-principles study of the structural and electronic properties of the (InSb)1-x(Sn2)x solid solution using density functional theory within the Quantum ESPRESSO framework. The results show that Sn incorporation modifies the electronic structure while preserving the direct...