3 years ago

Compressibility of Cs2SnBr6 by X-ray diffraction and Raman spectroscopy

Shan Qin, Xiang Wu, Anhuai Lu, Hongrui Ding, Jingjing Niu, Guan Yuan, Shengxuan Huang
Cs2SnBr6, one promising material applied in perovskite solar cells, has been investigated up to 20 GPa by synchrotron X-ray diffraction and Raman spectroscopy. Both experimental data demonstrate that no phase transition occurs up to 20 GPa. By fitting the third-order Birch-Murnaghan equation of state, we have obtained V 0 = 1288 (14) Å3, K 0 = 11 (1) GPa and K 0′ = 7 (1). The ultralow value of bulk modulus K 0 demonstrates the soft nature of Cs2SnBr6. Combining calculated values with experimental results, we find that x coordinate of Sn (x,0,0) atoms increases and SnBr bond lengths get shortened on compression. We have assigned vibrational peaks of Cs2SnBr6 in Raman measurements, and all the three Raman bands present nonlinear correlations with pressure.
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