中国物理B ›› 2024, Vol. 33 ›› Issue (5): 57403-057403.doi: 10.1088/1674-1056/ad3c31

• • 上一篇    下一篇

Electronic structure and effective mass of pristine and Cl-doped CsPbBr3

Zhiyuan Wei(魏志远)1,†, Yu-Hao Wei(魏愉昊)2,†, Shendong Xu(徐申东)3,†, Shuting Peng(彭舒婷)1, Makoto Hashimoto4, Donghui Lu(路东辉)4, Xu Pan(潘旭)3, Min-Quan Kuang(匡泯泉)2,‡, Zhengguo Xiao(肖正国)1,§, and Junfeng He(何俊峰)1,¶   

  1. 1 Department of Physics and CAS Key Laboratory of Strongly-coupled Quantum Matter Physics, University of Science and Technology of China, Hefei 230026, China;
    2 Chongqing Key Laboratory of Micro & Nano Structure Optoelectronics, and School of Physical Science and Technology, Southwest University, Chongqing 400715, China;
    3 Key Laboratory of Photovoltaic and Energy Conservation Materials, Institute of Applied Technology, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031, China;
    4 Stanford Synchrotron Radiation Lightsource and Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
  • 收稿日期:2024-01-11 修回日期:2024-03-07 接受日期:2024-04-10 出版日期:2024-05-20 发布日期:2024-05-20
  • 通讯作者: Min-Quan Kuang, Zhengguo Xiao, Junfeng He E-mail:mqkuang@swu.edu.cn;zhengguo@ustc.edu.cn;jfhe@ustc.edu.cn
  • 基金资助:
    Project supported by the International Partnership Program of the Chinese Academy of Sciences (Grant No. 123GJHZ2022035MI) and the Fundamental Research Funds for the Central Universities (Grant Nos. WK3510000015 and WK3510000012).

Electronic structure and effective mass of pristine and Cl-doped CsPbBr3

Zhiyuan Wei(魏志远)1,†, Yu-Hao Wei(魏愉昊)2,†, Shendong Xu(徐申东)3,†, Shuting Peng(彭舒婷)1, Makoto Hashimoto4, Donghui Lu(路东辉)4, Xu Pan(潘旭)3, Min-Quan Kuang(匡泯泉)2,‡, Zhengguo Xiao(肖正国)1,§, and Junfeng He(何俊峰)1,¶   

  1. 1 Department of Physics and CAS Key Laboratory of Strongly-coupled Quantum Matter Physics, University of Science and Technology of China, Hefei 230026, China;
    2 Chongqing Key Laboratory of Micro & Nano Structure Optoelectronics, and School of Physical Science and Technology, Southwest University, Chongqing 400715, China;
    3 Key Laboratory of Photovoltaic and Energy Conservation Materials, Institute of Applied Technology, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031, China;
    4 Stanford Synchrotron Radiation Lightsource and Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
  • Received:2024-01-11 Revised:2024-03-07 Accepted:2024-04-10 Online:2024-05-20 Published:2024-05-20
  • Contact: Min-Quan Kuang, Zhengguo Xiao, Junfeng He E-mail:mqkuang@swu.edu.cn;zhengguo@ustc.edu.cn;jfhe@ustc.edu.cn
  • Supported by:
    Project supported by the International Partnership Program of the Chinese Academy of Sciences (Grant No. 123GJHZ2022035MI) and the Fundamental Research Funds for the Central Universities (Grant Nos. WK3510000015 and WK3510000012).

摘要: Organic-inorganic lead halide perovskites (LHPs) have attracted great interest owing to their outstanding optoelectronic properties. Typically, the underlying electronic structure would determinate the physical properties of materials. But as for now, limited studies have been done to reveal the underlying electronic structure of this material system, comparing to the huge amount of investigations on the material synthesis. The effective mass of the valance band is one of the most important physical parameters which plays a dominant role in charge transport and photovoltaic phenomena. In pristine CsPbBr$_{3}$, the Fröhlich polarons associated with the Pb-Br stretching modes are proposed to be responsible for the effective mass renormalization. In this regard, it would be very interesting to explore the electronic structure in doped LHPs. Here, we report high-resolution angle-resolved photoemission spectroscopy (ARPES) studies on both pristine and Cl-doped CsPbBr$_{3}$. The experimental band dispersions are extracted from ARPES spectra along both $\bar{\varGamma}$-$\bar{M}$-$\bar{\varGamma }$ and $\bar{X}$-$\bar{M}$-$\bar{X}$ high symmetry directions. DFT calculations are performed and directly compared with the ARPES data. Our results have revealed the band structure of Cl-doped CsPbBr$_{3}$ for the first time, which have also unveiled the effective mass renormalization in the Cl-doped CsPbBr$_{3}$ compound. Doping dependent measurements indicate that the chlorine doping could moderately tune the renormalization strength. These results will help understand the physical properties of LHPs as a function of doping.

关键词: lead halide perovskites, electronic structure, effective mass

Abstract: Organic-inorganic lead halide perovskites (LHPs) have attracted great interest owing to their outstanding optoelectronic properties. Typically, the underlying electronic structure would determinate the physical properties of materials. But as for now, limited studies have been done to reveal the underlying electronic structure of this material system, comparing to the huge amount of investigations on the material synthesis. The effective mass of the valance band is one of the most important physical parameters which plays a dominant role in charge transport and photovoltaic phenomena. In pristine CsPbBr$_{3}$, the Fröhlich polarons associated with the Pb-Br stretching modes are proposed to be responsible for the effective mass renormalization. In this regard, it would be very interesting to explore the electronic structure in doped LHPs. Here, we report high-resolution angle-resolved photoemission spectroscopy (ARPES) studies on both pristine and Cl-doped CsPbBr$_{3}$. The experimental band dispersions are extracted from ARPES spectra along both $\bar{\varGamma}$-$\bar{M}$-$\bar{\varGamma }$ and $\bar{X}$-$\bar{M}$-$\bar{X}$ high symmetry directions. DFT calculations are performed and directly compared with the ARPES data. Our results have revealed the band structure of Cl-doped CsPbBr$_{3}$ for the first time, which have also unveiled the effective mass renormalization in the Cl-doped CsPbBr$_{3}$ compound. Doping dependent measurements indicate that the chlorine doping could moderately tune the renormalization strength. These results will help understand the physical properties of LHPs as a function of doping.

Key words: lead halide perovskites, electronic structure, effective mass

中图分类号:  (Electronic structure (photoemission, etc.))

  • 74.25.Jb
79.60.-i (Photoemission and photoelectron spectra) 71.20.-b (Electron density of states and band structure of crystalline solids) 74.20.Pq (Electronic structure calculations)