Pressure-induced decomposition of β-SnWO4
This study reports the decomposition of β-SnWO4 into Sn, SnO2, and WO3 induced by static compression. We performed high-pressure synchrotron powder angle-dispersive X-ray diffraction measurements and found that decomposition occurs at a pressure of 13.97(5) GPa and is irreversible. This result contr...
| Autores: | , , , , , , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Universidad Europea (UEM) |
| Repositorio: | ABACUS. Repositorio de Producción Científica |
| Idioma: | inglés |
| OAI Identifier: | oai:abacus.universidadeuropea.com:11268/14683 |
| Acceso en línea: | http://hdl.handle.net/11268/14683 |
| Access Level: | acceso abierto |
| Palabra clave: | Física Termodinámica Teoría cuántica Goal 15: Sustainably manage forests, combat desertification, halt and reverse land degradation, halt biodiversity loss |
| Sumario: | This study reports the decomposition of β-SnWO4 into Sn, SnO2, and WO3 induced by static compression. We performed high-pressure synchrotron powder angle-dispersive X-ray diffraction measurements and found that decomposition occurs at a pressure of 13.97(5) GPa and is irreversible. This result contradicts a previous study that, based on density-functional theory calculations and crystal-chemistry arguments, predicted a pressure- driven transition from β-SnWO4 to α-SnWO4. Our analysis indicates that the observed decomposition is unrelated to mechanical or dynamic instabilities. Instead, it likely stems from frustration of the β → α transition, as this transformation requires a change in Sn coordination from octahedral to tetrahedral.The assessment of how pressure influences the volume of the unit cell provided an accurate determination of the room-temperature pressure–volume equation of state for β-SnWO4. Furthermore, the elastic constants and moduli, as well as the pressure dependence of Raman and infrared modes of β-SnWO4, were derived from density-functional theory calculations. Several phonon modes exhibited softening, and three cases of phonon anti-crossing were observed. |
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