论文标题
金属卤化物钙钛矿中旋转有机阳离子的拉曼散射的微观理论
Microscopic theory of Raman scattering for the rotational organic cation in metal halide perovskites
论文作者
论文摘要
在显微镜中存在一个差距，了解迄今为止金属卤化物钙钛矿（MHP）的无机框架中旋转有机阳离子（ROC）的动态特性。在此，我们基于与光子和声子的ROC交换的角动量开发了MHP中ROC的拉曼散射理论。我们系统地介绍了三个最低旋转水平之间角动量传递的选择规则。我们发现，由无机框架产生的声子角动量及其特定值可以直接通过Stokes（或反stokes）移位而表现出来。此外，可以在拉曼光谱中判断ROC及其优先旋转方向的初始方向。这项研究奠定了理论基础，该基础是通过拉曼技术浸入多体环境中的高精度分辨率和操纵分子旋转的基础。
A gap exists in microscopic understanding the dynamic properties of the rotational organic cation (ROC) in the inorganic framework of the metal halide perovskites (MHP) to date. Herein, we develop a microscopic theory of Raman scattering for the ROC in MHP based on the angular momentum of a ROC exchanging with that of the photon and phonon. We systematically present the selection rules for the angular momentum transfer among three lowest rotational levels. We find that the phonon angular momentum that arising from the inorganic framework and its specific values could be directly manifested by Stokes (or anti-Stokes) shift. Moreover, the initial orientation of the ROC and its preferentially rotational directions could be judged in Raman spectra. This study lays the theoretical foundation for the high-precision resolution and manipulation of molecular rotation immersed in many-body environment by Raman technique.
