The Electronic Structure of Cs ₂ AgBiBr ₆ at Room Temperature

Cs2AgBiBr6 is a stable halide double perovskite with bandgap of about 2.2 eV. Therefore, it intensively studied as potential lead-free alternative to hybrid solar cell absorber materials such methylammonium lead iodide. However, power conversion efficiencies cells this material have not yet exceeded 3%. A detailed understanding the electronic structure difficult, due variance reported data and experimental well theoretical difficulties that occur in going beyond qualitative an indirect semiconductor at device operation temperature. Herein, self-energy-corrected theory including spin–orbit coupling structural dynamics room temperature are combined model understand compound quantitative manner compared findings. It proposed observed low intrinsic can be attributed density states conduction band region.