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...

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Detalhes bibliográficos
Autores: Ferrari, Sergio, Díaz Anichtchenko, Daniel, Botella, Pablo, Ibañez, Jordi, Oliva, Robert, Kuzmin, Alexei, Muñoz, Alfonso, Alabarse, Frederico, Errandonea, Daniel
Tipo de documento: artigo
Data de publicação:2025
País:España
Recursos:Universidad Europea (UEM)
Repositório:ABACUS. Repositorio de Producción Científica
Idioma:inglês
OAI Identifier:oai:abacus.universidadeuropea.com:11268/14683
Acesso em linha:http://hdl.handle.net/11268/14683
Access Level:Acceso aberto
Palavra-chave:Física
Termodinámica
Teoría cuántica
Goal 15: Sustainably manage forests, combat desertification, halt and reverse land degradation, halt biodiversity loss
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spelling Pressure-induced decomposition of β-SnWO4Ferrari, SergioDíaz Anichtchenko, DanielBotella, PabloIbañez, JordiOliva, RobertKuzmin, AlexeiMuñoz, AlfonsoAlabarse, FredericoErrandonea, DanielFísicaTermodinámicaTeoría cuánticaGoal 15: Sustainably manage forests, combat desertification, halt and reverse land degradation, halt biodiversity lossThis 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.20252025-05-2920252025-01-0120252025-01-01journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/11268/14683reponame:ABACUS. Repositorio de Producción Científicainstname:Universidad Europea (UEM)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2Attribution-NonCommercial-NoDerivatives 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:abacus.universidadeuropea.com:11268/146832026-06-11T12:41:27Z
dc.title.none.fl_str_mv Pressure-induced decomposition of β-SnWO4
title Pressure-induced decomposition of β-SnWO4
spellingShingle Pressure-induced decomposition of β-SnWO4
Ferrari, Sergio
Física
Termodinámica
Teoría cuántica
Goal 15: Sustainably manage forests, combat desertification, halt and reverse land degradation, halt biodiversity loss
title_short Pressure-induced decomposition of β-SnWO4
title_full Pressure-induced decomposition of β-SnWO4
title_fullStr Pressure-induced decomposition of β-SnWO4
title_full_unstemmed Pressure-induced decomposition of β-SnWO4
title_sort Pressure-induced decomposition of β-SnWO4
dc.creator.none.fl_str_mv Ferrari, Sergio
Díaz Anichtchenko, Daniel
Botella, Pablo
Ibañez, Jordi
Oliva, Robert
Kuzmin, Alexei
Muñoz, Alfonso
Alabarse, Frederico
Errandonea, Daniel
author Ferrari, Sergio
author_facet Ferrari, Sergio
Díaz Anichtchenko, Daniel
Botella, Pablo
Ibañez, Jordi
Oliva, Robert
Kuzmin, Alexei
Muñoz, Alfonso
Alabarse, Frederico
Errandonea, Daniel
author_role author
author2 Díaz Anichtchenko, Daniel
Botella, Pablo
Ibañez, Jordi
Oliva, Robert
Kuzmin, Alexei
Muñoz, Alfonso
Alabarse, Frederico
Errandonea, Daniel
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv
dc.subject.none.fl_str_mv Física
Termodinámica
Teoría cuántica
Goal 15: Sustainably manage forests, combat desertification, halt and reverse land degradation, halt biodiversity loss
topic Física
Termodinámica
Teoría cuántica
Goal 15: Sustainably manage forests, combat desertification, halt and reverse land degradation, halt biodiversity loss
description 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.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025-05-29
2025
2025-01-01
2025
2025-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/11268/14683
url http://hdl.handle.net/11268/14683
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:ABACUS. Repositorio de Producción Científica
instname:Universidad Europea (UEM)
instname_str Universidad Europea (UEM)
reponame_str ABACUS. Repositorio de Producción Científica
collection ABACUS. Repositorio de Producción Científica
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,811543

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