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)

作　　者：杨帆[1] 周贤中 YANG Fan;ZHOU Xian-Zhong(College of Integrated Circuits,Guangdong University of Technology,Gangzhou 510006,China)

机构地区：[1]广东工业大学集成电路学院,广州510006

出　　处：《原子与分子物理学报》2025年第2期169-174,共6页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(61704032)。

摘　　要：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.

关 键 词：第一性原理计算 电子-声子耦合 漂移迁移率 

分 类 号：O64[理学—物理化学]