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Main Authors: Hu, Yiqi, Zhang, Jun-Jie, Zhou, Zhou, Wang, Shun, Li, Qiankun, Hou, Yanfei, Ying, Tianhao, Yang, Lingling, Zhang, Jingyao, Yin, Shuzhong, Weng, Yuyan, Dong, Shuai, Yao, Jianlin, Fang, Liang, You, Lu
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2512.20925
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author Hu, Yiqi
Zhang, Jun-Jie
Zhou, Zhou
Wang, Shun
Li, Qiankun
Hou, Yanfei
Ying, Tianhao
Yang, Lingling
Zhang, Jingyao
Yin, Shuzhong
Weng, Yuyan
Dong, Shuai
Yao, Jianlin
Fang, Liang
You, Lu
author_facet Hu, Yiqi
Zhang, Jun-Jie
Zhou, Zhou
Wang, Shun
Li, Qiankun
Hou, Yanfei
Ying, Tianhao
Yang, Lingling
Zhang, Jingyao
Yin, Shuzhong
Weng, Yuyan
Dong, Shuai
Yao, Jianlin
Fang, Liang
You, Lu
contents The layered van der Waals (vdW) ferroelectric CuInP2S6 (CIPS) exhibits unique cation hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promises for advanced applications in nanoelectronics. However, an explicit analysis of its lattice dynamics and vibrational symmetries, pivotal for understanding the material's peculiar ferroelectric and ferroionic behaviors, remains incomplete. Here, we employ angle-resolved polarized Raman spectroscopy in concert with first-principles calculations to systematically unravel the anisotropic lattice vibrations of CIPS single crystals. By analyzing the polarization-dependent Raman intensities, we determine the symmetry assignments and Raman tensors of all major vibrational modes, revealing good agreement with theoretical predictions. Furthermore, we demonstrate the utility of Raman spectroscopy as a sensitive and non-invasive probe for structural and ferroelectric order evolution, by examining temperature-driven phase transitions and thickness-dependent polarization suppression in CIPS. Our findings establish a foundational framework for correlating lattice dynamics with functional properties in CIPS and provide a methodological blueprint for studying other vdW ferroelectrics.
format Preprint
id arxiv_https___arxiv_org_abs_2512_20925
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Deciphering the lattice vibrational behaviors of CuInP2S6 by angle-resolved polarized Raman scattering
Hu, Yiqi
Zhang, Jun-Jie
Zhou, Zhou
Wang, Shun
Li, Qiankun
Hou, Yanfei
Ying, Tianhao
Yang, Lingling
Zhang, Jingyao
Yin, Shuzhong
Weng, Yuyan
Dong, Shuai
Yao, Jianlin
Fang, Liang
You, Lu
Materials Science
The layered van der Waals (vdW) ferroelectric CuInP2S6 (CIPS) exhibits unique cation hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promises for advanced applications in nanoelectronics. However, an explicit analysis of its lattice dynamics and vibrational symmetries, pivotal for understanding the material's peculiar ferroelectric and ferroionic behaviors, remains incomplete. Here, we employ angle-resolved polarized Raman spectroscopy in concert with first-principles calculations to systematically unravel the anisotropic lattice vibrations of CIPS single crystals. By analyzing the polarization-dependent Raman intensities, we determine the symmetry assignments and Raman tensors of all major vibrational modes, revealing good agreement with theoretical predictions. Furthermore, we demonstrate the utility of Raman spectroscopy as a sensitive and non-invasive probe for structural and ferroelectric order evolution, by examining temperature-driven phase transitions and thickness-dependent polarization suppression in CIPS. Our findings establish a foundational framework for correlating lattice dynamics with functional properties in CIPS and provide a methodological blueprint for studying other vdW ferroelectrics.
title Deciphering the lattice vibrational behaviors of CuInP2S6 by angle-resolved polarized Raman scattering
topic Materials Science
url https://arxiv.org/abs/2512.20925