高压下无机金属卤化物钙钛矿CsMnCl3的结构和光学性质OA

Manganese-based metal halide perovskites have attracted significant attention due to their excellent photoelectric conversion efficiency and low-cost preparation advantages.Among them,cesium manganese chloride(CsMnCl3)has emerged as a promising candidate for spintronics and magnetic applications.Understanding the structure-property relationship of CsMnCl3,particularly its behavior under extreme conditions,is crucial for developing stable and efficient manganese-based perovskite materials and expanding their application scenarios.In this study,we systematically investigated the structural and optical properties of CsMnCl3 using diamond anvil cell(DAC)technology combined with in-situ high-pressure photoluminescence(PL)spectroscopy,absorption spectroscopy,Raman spectroscopy,X-ray diffraction(XRD),and first-principles calculations.At ambient pressure,CsMnCl3 crystallized in the R3m space group.During compression,we observed a structural transition at approximately 0.9 GPa,accompanied by a significant enhancement about 8.4 times in the photoluminescence intensity of CsMnCl3.Within the experimental pressure range from 0 to 32.2 GPa,the optical bandgap gradually decreases by about 28%with increasing pressure.Our findings provide theoretical support and experimental evidence for optimizing the high-pressure stability of manganese-based perovskite materials and expanding their functional applications under extreme conditions.Additionally,the fundamental understanding of metal halide perovskites under high pressure is enriched.