Optical Properties of All-Inorganic Perovskite Cesium Tin Bromide

doi:10.16553/j.cnki.issn1000-985x.2025.0154

Abstract

Abstract: Safe and environmentally friendly tin-based perovskite materials are emerging as promising lead-free alternatives due to their stable and excellent properties. This study focuses on the structure-property relationship of the all-inorganic tin-based perovskite CsSnBr₃. The structural stability and phase transition behavior of this material over the temperature range from 123 K to 673 K were investigated using variable-temperature X-ray diffraction combined with Rietveld refinement and thermogravimetric analysis. CsSnBr₃ exists as the Pm $3 ˉ$ m phase between 298 K and 673 K， transforms into the P4/mbm phase at 253 K， and finally converts to the Pnma phase at 123 K. Ultraviolet-visible absorption spectroscopy and density functional theory calculations collectively reveal that the material possesses a direct band gap of 1.67 eV. The conduction band minimum is primarily constituted by Sn-5p and Br-4p orbitals， while the valence band maximum originates mainly from Br-4p orbitals. Temperature-dependent photoluminescence （PL） spectra indicate that the PL intensity of CsSnBr₃ enhances fourfold at 113 K. This phenomenon is likely attributed to the suppression of phonon scattering at low temperatures， leading to reduced non-radiative recombination. This study provides a solid thermodynamic basis for the development of high-efficiency lead-free perovskite solar cells suitable for high-temperature conditions.

Key words: tin-based perovskite; CsSnBr₃; PL spectroscopy; optical property; activation energy; first-principle

CLC Number:

O469

LIANG Yongfu, YANG Yuping, CHENG Xuerui. Optical Properties of All-Inorganic Perovskite Cesium Tin Bromide[J]. Journal of Synthetic Crystals, 2026, 55(1): 103-110.

Figures/Tables 6

Fig.1 XRD pattern and structure refinement diagram of CsSnBr3 at room temperature

Fig.2 Band gap， band structure， and density of states of CsSnBr3. （a） Fluorescence spectrum （PL） and ultraviolet-visible absorption spectrum （Abs）；（b） optical band gap；（c） energy band structure diagram；（d） electron density diagram

Fig.3 Temperature-dependent structural phase transition of CsSnBr3. （a） XRD patterns of CsSnBr3 in the range of 123~473 K；（b） structural refinement of CsSnBr3 based on XRD patterns at 123， 253， and 473 K

Fig.4 Changes in Raman vibrational modes of CsSnBr3 at different temperatures. （a） Raman spectra of CsSnBr3 as a function of temperature；（b） peak position changes caused by Sn—Br stretching vibrations during the temperature change process

Fig.5 Thermogravimetric analysis of CsSnBr3

Fig.6 Changes in CsSnBr3 PL at different temperatures. （a） PL at different temperatures；（b） three-dimensional plot of wavelength-temperature-intensity；（c） change in FWHM of PL peak with temperature；（d） activation energy obtained using Arrhenius fitting

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