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Updated: Sep 13, 2025

Characterization of Nanocrystal Size Distribution using Raman Spectroscopy with a Multi-particle Phonon Confinement Model
Published on: August 22, 2015
Investigation on the Intrinsic Phonon Properties of CrPS4: A Combined Raman Spectroscopy and First-Principles
Mengdi Li1, Xin Wei1, Qiyun Xie1
1College of Electronic and Optical Engineering & College of Flexible Electronics (Future Technology), Nanjing University of Posts and Telecommunications, Nanjing 210023, Jiangsu, China.
Abstract:
Compared to other vdW-layered magnetic semiconductors, research on the intrinsic phonon properties of antiferromagnetic CrPS4 is in its infancy, and elucidating these properties is crucial for unlocking its emerging applications. In this work, we combined Raman spectroscopy and first-principles calculations to thoroughly investigate the lattice vibrations of CrPS4, uncovering its anisotropic phonon symmetry and phonon-phonon interactions. Angle-resolved polarized Raman spectroscopy was used to determine the orientation of the anisotropic CrPS4 crystal. Temperature-dependent Raman studies revealed red shifts and line width broadening of phonon peaks with increasing temperature, indicating lattice anharmonicity. Notably, quartic-phonon scattering processes were found to dominate the broadening of high-energy phonons. Our findings provide valuable insights into the lattice vibrations of CrPS4 and encourage further theoretical and experimental investigations of its potential thermoelectric applications.
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