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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2507.17536 |
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Table of Contents:
- The nature of the phonon triplet in the region of OH-stretching modes in hydrogen-bonded materials is often explained by the interplay of OH-stretching modes and combinations and overtones of OH-bending modes. In order to elucidate the both contributions in KH$_2$PO$_4$ (KDP), we compare the pressure dependence of the OH-bending and stretching modes from ab initio calculation and inelastic neutron scattering (INS) measurements. The ab initio calculation predicts a hardening of OH-bending modes and a softening of OH-stretching modes with pressure. At the same time, INS measurements in the region of OH-stretching modes indicate a hardening of the phonon triplet together with the bending modes. This means that this triplet in INS measurements is mainly due to combinations and overtones of OH-bending modes, while the intensity of OH-stretching modes appears to be relatively low. This conclusion may also apply to other hydrogen-bonded materials.