Pressure-induced optical anisotropy of HfS2
The effect of pressure on Raman scattering (RS) in bulk HfS 2 is investigated under hydrostatic and non-hydrostatic pressure conditions. The RS line shape does not change significantly in the hydrostatic regime up to P = 9.6 GPa, showing a systematic blueshift of the spectral features. In a non-hydr...
| Autores: | , , , , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2024 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/382721 |
| Acceso en línea: | http://hdl.handle.net/10261/382721 |
| Access Level: | acceso abierto |
| Palabra clave: | Density functional theory Excitation energies Local density approximations Crystal structure Phase transitions Phonons Semiconductors Raman scattering |
| Sumario: | The effect of pressure on Raman scattering (RS) in bulk HfS 2 is investigated under hydrostatic and non-hydrostatic pressure conditions. The RS line shape does not change significantly in the hydrostatic regime up to P = 9.6 GPa, showing a systematic blueshift of the spectral features. In a non-hydrostatic environment, seven peaks appear in the spectrum at P = 7 GPa, which dominate the RS line shape up to P = 10.5 GPa. The change in the RS line shape manifests a pressure-induced phase transition in HfS 2 . The simultaneous observation of both low-pressure (LP) and high-pressure (HP) related RS peaks suggests the coexistence of two different phases over a wide pressure range. It is found that the HP-related phase is metastable and persists during the decompression cycle down to P = 1.2 GPa, while the LP-related fea- tures eventually recover at even lower pressure. The angle-resolved polarized RS performed under P = 7.4 GPa revealed a strong in-plane anisotropy of both the LP-related A1g mode and the HP peaks. The anisotropy is related to the possible distortion of the structure induced by the non-hydrostatic component of the pressure. The results are explained in terms of a distorted Pnma phase as a possible pressure- induced phase of HfS2 . |
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