Uncovering hidden disorder within halide perovskites

Solid-state materials are typically characterized by their vibrationally-averaged atomic structures. However, averaging these structures obscures local nuclear and electronic fluctuations, the coupling of which can lead to static and dynamic disorder that impacts a material’s properties and function. Instead, one must look closer to find this hidden disorder and understand its impact. In this presentation, I will discuss our theoretical and computational efforts to quantify fluctuating electronic disorder in metal halide perovskites and its impact on the unique physical and materials properties of metal halide perovskites. I will also discuss how these insights can be used to engineer halide perovskites.