金属卤素钙钛矿CsPbBr3的电声耦合输运特性研究

Study on the electrophonic coupling and transport properties of metal halide perovskite CsPbBr_(3)

金属卤素钙钛矿CsPbBr_(3)在发光方面(Light emitter)的优良表现吸引了许多人把它作为下一代发光、显示与量子信息的可选材料,但其关键的漂移迁移率会受到声子限制.本文将以第一性原理计算得到CsPbBr_(3)的包括极性光学声子(Polar optical phonon)在内的电声耦合特性,然后使用线性玻尔兹曼方程给出在电场下的解,从而得出漂移迁移率.在论文详述中会给出CsPbBr_(3)的各向异性载流子输运特性的研究,为金属卤素钙钛矿的应用提供一些必要信息.

The excellent performance of metal halide perovskite CsPbBr_(3) as a light emitter has attracted many researchers to consider it as a potential material for next-generation lighting,displays,and quantum information applications.However,its crucial drift mobility is limited by phonon scattering.In this paper,we use first-principles calculations to obtain the electronic-phonon coupling properties of CsPbBr_(3),including polar optical phonons,and then use the linear Boltzmann equation to obtain the drift mobility under an electric field.This paper also presents a detailed study of the anisotropic charge carrier transport properties of CsPbBr_(3),providing essential information for the application of metal halide perovskites.