High-pressure structural phase transition on Bi14MoO24

In situ high-pressure powder synchrotron X-ray diffraction studies on tetragonal BiMoO have been carried out up to 11.5 GPa at room temperature. A tetragonal (I4/m) to monoclinic (C2/m) structural phase transition has been identified around 5 GPa and possible evidence for a second phase transition i...

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Autores: Botella, P., Santamaría-Pérez, D., Otero-de-la-Roza, A., Oliva, Robert, Achary, S. N., Popescu, Catalina, Errandonea, D.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/348184
Acceso en línea:http://hdl.handle.net/10261/348184
Access Level:acceso abierto
Palabra clave:Powder synchrotron X-ray diffraction
Structural changes of Bi14MoO24 under pressure
5 GPa and at 11 GPa
Pressure and a volume collapse
Mechanism of the tetragonal-monoclinic transition
Both phase transitions were reversible upon decompression.
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spelling High-pressure structural phase transition on Bi14MoO24Botella, P.Santamaría-Pérez, D.Otero-de-la-Roza, A.Oliva, RobertAchary, S. N.Popescu, CatalinaErrandonea, D.Powder synchrotron X-ray diffractionStructural changes of Bi14MoO24 under pressure5 GPa and at 11 GPaPressure and a volume collapseMechanism of the tetragonal-monoclinic transitionBoth phase transitions were reversible upon decompression.In situ high-pressure powder synchrotron X-ray diffraction studies on tetragonal BiMoO have been carried out up to 11.5 GPa at room temperature. A tetragonal (I4/m) to monoclinic (C2/m) structural phase transition has been identified around 5 GPa and possible evidence for a second phase transition is observed at the highest pressure of this study. Both phase transitions are reversible upon decompression. The evolution of the lattice parameters, axial ratio, and volume under pressure have been determined for both the low pressure tetragonal and high-pressure monoclinic phases. A volume collapse of 2.7% observed at the tetragonal to monoclinic phase transition indicates it to be of first-order character. The phase transition involves a shear deformation perpendicular to the b-axis and a displacement of the Mo atoms along the b-axis. The details of the mechanism of the tetragonal-monoclinic transition are discussed. The bulk modulus of the low-pressure tetragonal and high-pressure monoclinic phases have been estimated to be 67(7) GPa and 64(3) GPa, respectively. The linear compressibilities of both phases show an anisotropic response to pressure. The obtained results are compared with the high-pressure behavior of its isomorph counterpart BiCrO and with high-temperature behavior on BiMoO.Peer reviewedPergamon PressOliva, Robert [0000-0002-9378-4048]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2024202420232024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/348184reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésIngléshttp://dx.doi.org/10.1016/j.jpcs.2023.111598Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3481842026-05-22T06:33:51Z
dc.title.none.fl_str_mv High-pressure structural phase transition on Bi14MoO24
title High-pressure structural phase transition on Bi14MoO24
spellingShingle High-pressure structural phase transition on Bi14MoO24
Botella, P.
Powder synchrotron X-ray diffraction
Structural changes of Bi14MoO24 under pressure
5 GPa and at 11 GPa
Pressure and a volume collapse
Mechanism of the tetragonal-monoclinic transition
Both phase transitions were reversible upon decompression.
title_short High-pressure structural phase transition on Bi14MoO24
title_full High-pressure structural phase transition on Bi14MoO24
title_fullStr High-pressure structural phase transition on Bi14MoO24
title_full_unstemmed High-pressure structural phase transition on Bi14MoO24
title_sort High-pressure structural phase transition on Bi14MoO24
dc.creator.none.fl_str_mv Botella, P.
Santamaría-Pérez, D.
Otero-de-la-Roza, A.
Oliva, Robert
Achary, S. N.
Popescu, Catalina
Errandonea, D.
author Botella, P.
author_facet Botella, P.
Santamaría-Pérez, D.
Otero-de-la-Roza, A.
Oliva, Robert
Achary, S. N.
Popescu, Catalina
Errandonea, D.
author_role author
author2 Santamaría-Pérez, D.
Otero-de-la-Roza, A.
Oliva, Robert
Achary, S. N.
Popescu, Catalina
Errandonea, D.
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Oliva, Robert [0000-0002-9378-4048]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Powder synchrotron X-ray diffraction
Structural changes of Bi14MoO24 under pressure
5 GPa and at 11 GPa
Pressure and a volume collapse
Mechanism of the tetragonal-monoclinic transition
Both phase transitions were reversible upon decompression.
topic Powder synchrotron X-ray diffraction
Structural changes of Bi14MoO24 under pressure
5 GPa and at 11 GPa
Pressure and a volume collapse
Mechanism of the tetragonal-monoclinic transition
Both phase transitions were reversible upon decompression.
description In situ high-pressure powder synchrotron X-ray diffraction studies on tetragonal BiMoO have been carried out up to 11.5 GPa at room temperature. A tetragonal (I4/m) to monoclinic (C2/m) structural phase transition has been identified around 5 GPa and possible evidence for a second phase transition is observed at the highest pressure of this study. Both phase transitions are reversible upon decompression. The evolution of the lattice parameters, axial ratio, and volume under pressure have been determined for both the low pressure tetragonal and high-pressure monoclinic phases. A volume collapse of 2.7% observed at the tetragonal to monoclinic phase transition indicates it to be of first-order character. The phase transition involves a shear deformation perpendicular to the b-axis and a displacement of the Mo atoms along the b-axis. The details of the mechanism of the tetragonal-monoclinic transition are discussed. The bulk modulus of the low-pressure tetragonal and high-pressure monoclinic phases have been estimated to be 67(7) GPa and 64(3) GPa, respectively. The linear compressibilities of both phases show an anisotropic response to pressure. The obtained results are compared with the high-pressure behavior of its isomorph counterpart BiCrO and with high-temperature behavior on BiMoO.
publishDate 2023
dc.date.none.fl_str_mv 2023
2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Postprint
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/348184
url http://hdl.handle.net/10261/348184
dc.language.none.fl_str_mv Inglés
Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1016/j.jpcs.2023.111598
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Pergamon Press
publisher.none.fl_str_mv Pergamon Press
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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