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arXiv · 2610.23015

Crystal Field-Phonon Coupling in ErFeO$_3$ Single Crystal Via Inelastic Neutron Scattering

Guochu Deng·Xiaoxuan Ma·Wanting Yang·Wei Ren·Shixun Cao·Zhenxiang Cheng·Garry J. McIntyre
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Abstract

Crystal-field (CF) excitations and their coupling to lattice vibrations were investigated in ErFeO$_3$ using inelastic neutron scattering. Pronounced modifications of the excitation spectra, including energy shifts, intensity redistribution, and linewidth changes, were observed as a consequence of CF-phonon coupling. Significant renormalization of the first and second CF excitations, located near 5 meV and 12 meV, respectively, was detected along both transverse and longitudinal directions in the vicinity of the reciprocal-space point Q = (2, 0, 4). The coupling effects become more prominent as the temperature increases from 300 K to 650 K, while a slight suppression is observed at 750 K. Remarkably, CF excitation peaks that are strongly weakened by thermal population effects re-emerge in specific momentum regions through interaction with phonon modes. The coupled excitations exhibit characteristic signatures of hybridization, including energy renormalization, intensity enhancement, and linewidth narrowing. Density-functional-theory-based phonon calculations further support the interpretation of CF-phonon coupling in ErFeO3. These results demonstrate that strong interactions between CF excitations and lattice vibrations can substantially modify the excitation spectra in rare-earth orthoferrites.

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Guochu Deng, Xiaoxuan Ma, Wanting Yang, Wei Ren, Shixun Cao, Zhenxiang Cheng, Garry J. McIntyre. 2026-10-16. Crystal Field-Phonon Coupling in ErFeO$_3$ Single Crystal Via Inelastic Neutron Scattering. https://arxiv.org/abs/2610.23015

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