1. Diverse carrier mobilities in halide perovskites: The role of conductive network and ionized impurity scattering.
- Author
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Wu, Yasong, Liu, Lu, Ning, Jinyan, Qiu, Di, Wang, Shenghao, Xi, Jinyang, and Yang, Jiong
- Subjects
CHARGE carrier mobility ,GROUP velocity ,PEROVSKITE ,TRADE routes ,PERMITTIVITY - Abstract
• We fully reveal the fundamental reasons for the carrier mobility differences among six perovskites categorized in CsBX 3 , Cs 2 BX 6 , and Cs 3 B 2 X 9. • The primary cause of the variation in mobility in these compounds is the variation in group velocities, relating to their distinctive connectivity of BX 6. • There is an order of magnitude decrease in the mobility of all the three types at high ionized impurity concentration, especially for CsBX 3. Band degeneracy has a substantially greater impact on the ionized impurity scattering rate than the long-believed dielectric constant. In past decades, ABX 3 halide perovskites have attracted great interest in solar cells due to excellent optoelectronic properties, such as high carrier mobility. However, instability and toxicity are obstacles on the commercial route for perovskites. Many studies have turned to exploring A 2 BX 6 and A 3 B 2 X 9 for better stability. Unfortunately, the carrier mobilities of these two types are inferior to ABX 3 , lower by an order of magnitude. Furthermore, the mobility of ABX 3 is distributed over a large range of 1.78–4500 cm
2 V−1 s−1 in experiments, which contributes to another diversity of mobilities. In this paper, we aim at revealing the physical origin of the above-mentioned diversities by theoretical studies on CsBX 3 , Cs 2 BX 6 , and Cs 3 B 2 X 9 (B=Sn, Pb, Sb, Bi, X=Br, Cl). The difference in group velocities is the major reason responsible for the variation in these types. The unique three-dimensional connected conductive network of CsBX 3 determines its large group velocity. As for carrier scattering, ionized impurity scattering dominates at low carrier and high ionized impurity concentrations. Detailed analysis reveals that band degeneracy is strongly related to the impurity scattering rate, while dielectric constant is almost immune. Our study provides a better understanding of the relationship between electronic structures and mobilities for potential applications in photovoltaics. [Display omitted] [ABSTRACT FROM AUTHOR]- Published
- 2025
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