High-temperature and high-pressure study on columbite structured ZnNb2O6
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arXiv
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| Autori principali: | , , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866915428970790912 |
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| author | Tyagi, A. Botella, P. Garg, A. B. Sanchez-Martin, J. Diaz-Anichtchenko, D. Turnbull, R. Anzellini, S. Popescu, C. Errandonea, D. |
| author_facet | Tyagi, A. Botella, P. Garg, A. B. Sanchez-Martin, J. Diaz-Anichtchenko, D. Turnbull, R. Anzellini, S. Popescu, C. Errandonea, D. |
| contents | High-temperature and high-pressure experiments were conducted on columbite-type ZnNb2O6, reaching temperatures up to 873 K at ambient pressure and pressures up to 30 GPa at ambient temperature, respectively. Through systematic analysis employing synchrotron powder X-ray diffraction and Raman spectroscopy, we examined the crystal structure and phonon behavior. Within the specified temperature range, the orthorhombic phase of ZnNb2O6 (space group: Pbcn) demonstrated notable phase stability, with a thermal expansion coefficient similar to that of isomorphic compounds. Notably, a reversible phase transition was observed under compression at 10 GPa, with diffraction experiments indicating a shift to a monoclinic structure (space group P2/a), which remained stable up to 30 GPa. Changes in Raman modes, lattice parameters, and the unit-cell volume were monitored. A significant 2.5% discontinuity in the unit-cell volume at the phase transition pressure from orthorhombic to monoclinic suggests a first-order phase transition. The bulk moduli of the orthorhombic and monoclinic phases were estimated as 165(7) GPa and 230(9) GPa, respectively- We also found that both phases exhibit an anisotropic response to pressure. Furthermore, first-principles calculations support consistently with experimental observations. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_03658 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | High-temperature and high-pressure study on columbite structured ZnNb2O6 Tyagi, A. Botella, P. Garg, A. B. Sanchez-Martin, J. Diaz-Anichtchenko, D. Turnbull, R. Anzellini, S. Popescu, C. Errandonea, D. Materials Science High-temperature and high-pressure experiments were conducted on columbite-type ZnNb2O6, reaching temperatures up to 873 K at ambient pressure and pressures up to 30 GPa at ambient temperature, respectively. Through systematic analysis employing synchrotron powder X-ray diffraction and Raman spectroscopy, we examined the crystal structure and phonon behavior. Within the specified temperature range, the orthorhombic phase of ZnNb2O6 (space group: Pbcn) demonstrated notable phase stability, with a thermal expansion coefficient similar to that of isomorphic compounds. Notably, a reversible phase transition was observed under compression at 10 GPa, with diffraction experiments indicating a shift to a monoclinic structure (space group P2/a), which remained stable up to 30 GPa. Changes in Raman modes, lattice parameters, and the unit-cell volume were monitored. A significant 2.5% discontinuity in the unit-cell volume at the phase transition pressure from orthorhombic to monoclinic suggests a first-order phase transition. The bulk moduli of the orthorhombic and monoclinic phases were estimated as 165(7) GPa and 230(9) GPa, respectively- We also found that both phases exhibit an anisotropic response to pressure. Furthermore, first-principles calculations support consistently with experimental observations. |
| title | High-temperature and high-pressure study on columbite structured ZnNb2O6 |
| topic | Materials Science |
| url | https://arxiv.org/abs/2508.03658 |