Halide perovskite is a material with fantastic properties that could substantially impact next-generation optoelectronics. However, toxic Pb cations in the most excellent and stable perovskites have raised environmental concerns and hindered their commercialization. A new lead-free perovskite material needs to be discovered and address this issue. This research predicts that MAEuCl3 and MAYbCl3 are dynamic stable structures with wide band gap properties, making them promising lead-free perovskites. The study discusses these two new perovskites' XRD, electrical conductivity, and carrier mobility. Based on the properties of Eu2+ and Yb2+ perovskites, the iodide-based variant is suitable for device operation within the temperature range of 400 K to 600 K. The bromide-based perovskite is appropriate for temperatures ranging from 500 K to 700 K. In comparison, the chloride-based perovskite can be used for device operation in the higher temperature range of 800 K to 1100 K. Additionally, this research identifies the dynamic stability issue of lanthanide cations in halide perovskites, providing a reference for future lead-free perovskite applications.
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