K. O. Obodo

First-principles investigation of structural, electronic, and optical properties of K$$_3$$GaX$$_6$$ (X = Cl, Br, I) for optoelectronic applications

In this study, we conduct a detailed first-principles investigation of the structural, electronic, optical properties, thermodynamic and mechanical stability of K $$_3$$ GaX $$_6$$ (where X = Cl, Br, I) for optoelectronic applications. This investigation is carried out using density functional theory (D...