Optoelectronic and transport properties of layer-dependent two-dimensional perovskite Cs3Bi2I9

IF 2.3 3区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

Physics Letters A Pub Date : 2024-11-10 DOI:10.1016/j.physleta.2024.130053

Yu-Xuan Li , Jun Zhong , Xiang-Jie Xiong , Yong-Qi Ning , Ying Xu , Hui-Ping Zhu , Yu-Qing Zhao , Bo Li

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Abstract

The emergence of two-dimensional (2D) perovskite provides an ideal platform for designing and fabricating microelectronic and optoelectronic devices. Here, we present detailed ab initio calculations to comprehensively explore the layer-dependent optoelectronic and transport properties of the newly synthesized 2D perovskite Cs₃Bi₂I₉. The calculations reveal that the indirect band gap of monolayer, bilayer, and trilayer Cs₃Bi₂I₉ decreases from 2.41 to 2.35 eV The charge carriers of few-layered perovskite Cs₃Bi₂I₉ are dominated by electrons, and the highest electron and hole carrier mobilities are 140 and 62 cm²V⁻¹s⁻¹ along the b axis for bilayer Cs₃Bi₂I₉. Exciton binding energies decrease from 2.48 to 1.19 eV with an increment of layer, and the calculated exciton level drops down into the valence band to generate potential exciton insulator. 2D Cs₃Bi₂I₉ exhibits potential in the field of ultraviolet detection and photoluminescent devices due to large exciton energy and ultraviolet absorption.

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层依赖性二维包晶 Cs3Bi2I9 的光电和传输特性

二维（2D）包晶石的出现为设计和制造微电子和光电器件提供了一个理想的平台。在此，我们通过详细的 ab initio 计算，全面探讨了新合成的二维包晶 Cs3Bi2I9 的层依赖性光电和传输特性。计算结果表明，单层、双层和三层 Cs3Bi2I9 的间接带隙从 2.41 eV 减小到 2.35 eV。少层包晶 Cs3Bi2I9 的电荷载流子以电子为主，对于双层 Cs3Bi2I9，沿 b 轴最高的电子和空穴载流子迁移率分别为 140 和 62 cm²V-¹s-¹。随着层数的增加，激子结合能从 2.48 eV 下降到 1.19 eV，计算出的激子水平下降到价带，从而产生潜在的激子绝缘体。二维 Cs3Bi2I9 具有较大的激子能量和紫外线吸收能力，因此在紫外线探测和光致发光器件领域具有潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physics Letters A 物理-物理：综合

CiteScore

5.10

自引率

3.80%

发文量

493

审稿时长

30 days

期刊介绍： Physics Letters A offers an exciting publication outlet for novel and frontier physics. It encourages the submission of new research on: condensed matter physics, theoretical physics, nonlinear science, statistical physics, mathematical and computational physics, general and cross-disciplinary physics (including foundations), atomic, molecular and cluster physics, plasma and fluid physics, optical physics, biological physics and nanoscience. No articles on High Energy and Nuclear Physics are published in Physics Letters A. The journal''s high standard and wide dissemination ensures a broad readership amongst the physics community. Rapid publication times and flexible length restrictions give Physics Letters A the edge over other journals in the field.