[P] P88~P100 Materials Processing

[P98] Experimental and First-Principles Investigation of Raman Spectra in CsPbBr₃

○Hiroto Ito^1,2, Qing Wang¹, Hsiang Lin Liu², Yusuke Shimada¹, Satoshi Iikubo¹ (1. Kyushu Univ. , 2. NTNU)

Keywords:

Raman Spectroscopy,Computational Science,Perovskite Materials

To clarify Raman spectra origins in CsPbBr3, experiment and DFT calculation results were compared. First-order Raman calculations showed no peaks above 100 cm-1, indicating higher-order or defect-induced scattering. And differences between bulk and nanocrystals are attributed to phonon confinement.