论文标题
甲米酰胺铅溴化物单晶的静态和动态障碍
Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals
论文作者
论文摘要
我们表明，溴二酰胺溴化物在卤化物钙钛矿晶体中是独一无二的，因为其无机亚晶格表现出内在的局部静态疾病，这些局部静态疾病与定义明确的平均晶体结构共存。我们的研究结合了THZ范围的拉曼裂缝与单晶X射线衍射和第一原理计算，以探测无机的亚晶状体动力学演变，温度在10-300 K的范围内。拉曼光谱的温度演变表明，局部静态障碍会严重影响晶体的结构和阶段的较高的温度，并且局部静态障碍会影响晶体的变形和阶段的较高的变形。
We show that formamidinium lead bromide is unique among the halide perovskite crystals because its inorganic sub-lattice exhibits intrinsic local static disorder that co-exists with a well-defined average crystal structure. Our study combines THz-range Raman-scattering with single-crystal X-ray diffraction and first-principles calculations to probe the inorganic sub-lattice dynamics evolution with temperature in the range of 10-300 K. The temperature evolution of the Raman spectra shows that low-temperature, local static disorder strongly affects the crystal's structural dynamics and phase transitions at higher temperatures.
