The article investigates the structural, electronic, and optical properties of the double perovskite K₂AgBiI₆ using Density Functional Theory (DFT). This material shows promise for applications in photovoltaics due to its stability and optoelectronic properties. The study explores different DFT approximations, such as LDA, GGA, and m-GGA, to understand its band structure, density of states, and optical behavior. The results indicate that K₂AgBiI₆ has a cubic crystal structure, a bandgap suitable for solar cells, and thermodynamic stability for potential sustainable applications.
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