引用本文格式: Yang Fan,Zhou Xian-Zhong. Study on the Electrophonic Coupling and Transport Properties of Metal Halide Perovskite CsPbBr3 [J]. J. At. Mol. Phys., 2025, 42(2): 026006 (in Chinese) 杨帆,周贤中. 金属卤素钙钛矿CsPbBr3的电声耦合输运特性研究 [J]. 原子与分子物理学报, 2025, 42(2): 026006] |
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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 CsPbBr3 |
摘要点击 234 全文点击 161 投稿时间:2023-07-03 修订日期:2023-07-17 |
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DOI编号
10.19855/j.1000-0364.2025.026006 |
中文关键词
第一性原理计算 电子-声子耦合 漂移迁移率 |
英文关键词
First-principles calculation electronic-phonon coupling drift mobility |
基金项目
国家自然科学基金 |
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中文摘要
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金属卤素钙钛矿CsPbBr3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CsPbBr3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CsPbBr3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。 |
英文摘要
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The excellent performance of metal halide perovskite CsPbBr3 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 CsPbBr3, 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 CsPbBr3, providing essential information for the application of metal halide perovskites. |