Investigation of Optoelectronic Properties of Na₂AgBiBr₆: A Solar Cell Material

Using the Wien2k code and density functional theory (DFT), we investigate the optical, electrical, and structural properties of a cubic material, Na<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf>AgBiBr<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</inf>. The compound has an 11.578 Å is the optimal lattice parameter, which falls under the Fm-3m space group. An indirect band gap of 1.352 eV is found via electronic structure simulations, suggesting possible semiconducting properties. The constant of static dielectric ε<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1</inf>(0) is concluded to be 4.84, suggesting a strong dielectric response. Additionally, the material demonstrates significant absorption and optical conductivity in the visible energy range, indicating its potential for use in optoelectronic applications. These findings highlight the potential of this material in various renewable energy applications such as solar cells.