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Cesium lead halide perovskites are characterized by unique dielectric response properties that are significant for potential applications. Modeling the dielectric response of these materials with respect to underlying physical processes is therefore useful. A case study analysis is presented of the dielectric response of cesium lead halide perovskites, using computational experiments and theory, helping to formulate quantitative dielectric response functions. In particular, the electronic structure and the dielectric function can be calculated using computational methods based on density function theory (DFT). Our analysis uses the Vienna Ab-initio Simulation Package (VASP), where the dielectric function is calculated by solving the Bethe-Salpeter equation on top of electronic structure calculations within the GW0 method.
K. L. Jensen,A. Shabaev, andS. G. Lambrakos
"Case-study analysis of dielectric response for cesium lead halide perovskites", Proc. SPIE 11727, Algorithms, Technologies, and Applications for Multispectral and Hyperspectral Imaging XXVII, 1172719 (12 April 2021); https://doi.org/10.1117/12.2587535
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K. L. Jensen, A. Shabaev, S. G. Lambrakos, "Case-study analysis of dielectric response for cesium lead halide perovskites," Proc. SPIE 11727, Algorithms, Technologies, and Applications for Multispectral and Hyperspectral Imaging XXVII, 1172719 (12 April 2021); https://doi.org/10.1117/12.2587535