Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.

Turnbull, Robin; Errandonea, Daniel; Gonzalez, Alfonso; Rodríguez-Hernandez, Placida; Popescu, Catalin; Bettinelli, Marco; Mishra, Karuna K.; Cuenca-Gotor, Vanesa Paula|||0000-0003-0819-8528; Sans-Tresserras, Juan Ángel|||0000-0001-9047-3992; Gomis, O.|||0000-0001-6763-0638; Manjón, Francisco-Javier|||0000-0002-3926-1705

Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.

[EN] YBO3 is used in photonics applications as a host for red phosphors due to its desirable chemical stability, high quantum efficiency and luminescence intensity. Despite its fundamental thermodynamic nature, the isothermal bulk modulus of YBO3 has remained a contentious issue due to a lack of com...

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Autores:	Turnbull, Robin, Errandonea, Daniel, Gonzalez, Alfonso, Rodríguez-Hernandez, Placida, Popescu, Catalin, Bettinelli, Marco, Mishra, Karuna K., Cuenca-Gotor, Vanesa Paula\|\|\|0000-0003-0819-8528, Sans-Tresserras, Juan Ángel\|\|\|0000-0001-9047-3992, Gomis, O.\|\|\|0000-0001-6763-0638, Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
Tipo de recurso:	artículo
Fecha de publicación:	2021
País:	España
Institución:	Universitat Politècnica de València (UPV)
Repositorio:	RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
Idioma:	inglés
OAI Identifier:	oai:riunet.upv.es:10251/186404
Acceso en línea:	https://riunet.upv.es/handle/10251/186404
Access Level:	acceso abierto
Palabra clave:	High-pressure Synchrotron radiation X-ray diffraction Inelastic light scattering Phosphors Anisotropy FISICA APLICADA

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network_acronym_str	ES
network_name_str	España
repository_id_str
dc.title.none.fl_str_mv	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
title	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
spellingShingle	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity. Turnbull, Robin High-pressure Synchrotron radiation X-ray diffraction Inelastic light scattering Phosphors Anisotropy FISICA APLICADA
title_short	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
title_full	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
title_fullStr	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
title_full_unstemmed	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
title_sort	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
dc.creator.none.fl_str_mv	Turnbull, Robin Errandonea, Daniel Gonzalez, Alfonso Rodríguez-Hernandez, Placida Popescu, Catalin Bettinelli, Marco Mishra, Karuna K. Cuenca-Gotor, Vanesa Paula\|\|\|0000-0003-0819-8528 Sans-Tresserras, Juan Ángel\|\|\|0000-0001-9047-3992 Gomis, O.\|\|\|0000-0001-6763-0638 Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
author	Turnbull, Robin
author_facet	Turnbull, Robin Errandonea, Daniel Gonzalez, Alfonso Rodríguez-Hernandez, Placida Popescu, Catalin Bettinelli, Marco Mishra, Karuna K. Cuenca-Gotor, Vanesa Paula\|\|\|0000-0003-0819-8528 Sans-Tresserras, Juan Ángel\|\|\|0000-0001-9047-3992 Gomis, O.\|\|\|0000-0001-6763-0638 Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
author_role	author
author2	Errandonea, Daniel Gonzalez, Alfonso Rodríguez-Hernandez, Placida Popescu, Catalin Bettinelli, Marco Mishra, Karuna K. Cuenca-Gotor, Vanesa Paula\|\|\|0000-0003-0819-8528 Sans-Tresserras, Juan Ángel\|\|\|0000-0001-9047-3992 Gomis, O.\|\|\|0000-0001-6763-0638 Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
author2_role	author author author author author author author author author author
dc.contributor.none.fl_str_mv	Departamento de Física Aplicada Escuela Técnica Superior de Ingeniería Aeroespacial y Diseño Industrial Instituto de Diseño para la Fabricación y Producción Automatizada Escuela Politécnica Superior de Alcoy Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica Generalitat Valenciana AGENCIA ESTATAL DE INVESTIGACION Ministerio de Economía y Empresa Agencia Estatal de Investigación European Regional Development Fund Ministerio de Economía y Competitividad Repositorio Institucional de la Universitat Politècnica de València Riunet
dc.subject.none.fl_str_mv	High-pressure Synchrotron radiation X-ray diffraction Inelastic light scattering Phosphors Anisotropy FISICA APLICADA
topic	High-pressure Synchrotron radiation X-ray diffraction Inelastic light scattering Phosphors Anisotropy FISICA APLICADA
description	[EN] YBO3 is used in photonics applications as a host for red phosphors due to its desirable chemical stability, high quantum efficiency and luminescence intensity. Despite its fundamental thermodynamic nature, the isothermal bulk modulus of YBO3 has remained a contentious issue due to a lack of comprehensive experimental and theoretical data and its vibrational modes are far from being understood. Here, we present an experimental-theoretical structural and vibrational study of YBO3. From structural data obtained from synchrotron X-ray diffraction data and ab initio calculations, we have determined the YBO3 bulk modulus, isothermal compressibility tensor and pressure-volume (P-V) equation of state (EoS). The isothermal compressibility tensor reveals that the compressibility of YBO3 is highly anisotropic, with the principal compression axis lying perpendicular to the ab-plane being approximately twice as stiff as the two axes perpendicular to it. From the vibrational data obtained from Raman scattering measurements and ab initio calculations, the experimental and calculated pressure response of the YBO3 Raman modes is also determined with the corresponding Grüneisen parameters and the symmetry of the experimental modes has been tentatively assigned and discussed. No evidence for a pressure-induced phase transition in YBO3 is observed up to 27 GPa, however we note that an apparent discontinuity in the compressibility at 8 GPa, likely due to the onset of non-hydrostaticity, could lead to the misinterpretation of an atypically high bulk modulus.
publishDate	2021
dc.date.none.fl_str_mv	2021 2021-01-05
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	https://riunet.upv.es/handle/10251/186404
url	https://riunet.upv.es/handle/10251/186404
dc.language.none.fl_str_mv	Inglés eng
language_invalid_str_mv	Inglés
language	eng
dc.relation.none.fl_str_mv	Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 FIS2017-83295-P EN BUSCA DE LA REACCION DEL HELIO EN CONDICIONES EXTREMAS Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2016-75586-C4-1-P Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-106383GB-C41 OXIDOS Y METALES BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2016-75586-C4-3-P Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-106383GB-C42 SESQUIOXIDOS Y COMPUESTOS METAVALENTES BAJO CONDICIONES EXTREMAS Generalitat Valenciana https://doi.org/10.13039/501100003359 GVPROMETEO2018-123 Materiales avanzados para el uso eficiente de la energia (EFIMAT) Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-106383GB-C43 SIMULACIONES AB INITIO DE MATERIALES AVANZADOS BAJO CONDICIONES EXTREMAS Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 MAT2016-75586-C4-2-P COMPUESTOS ABO3 Y A2X3 EN CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 RTI2018-101020-B-I00 ANALISIS Y DESARROLLO DE MATERIALES PARA SU INTEGRACION EN CELULAS SOLARES BASADAS EN NANOHILOS III-V Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 RED2018-102612-T MALTA- CONSOLIDER TEAM Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 RYC-2015-17482 RYC-2015-17482
dc.rights.none.fl_str_mv	open access http://purl.org/coar/access_right/c_abf2 Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) 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 Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv	openAccess
dc.format.none.fl_str_mv	application/pdf application/pdf
dc.publisher.none.fl_str_mv	Elsevier
publisher.none.fl_str_mv	Elsevier
dc.source.none.fl_str_mv	reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia instname:Universitat Politècnica de València (UPV)
instname_str	Universitat Politècnica de València (UPV)
reponame_str	RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
collection	RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
repository.name.fl_str_mv
repository.mail.fl_str_mv
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spelling	Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.Turnbull, RobinErrandonea, DanielGonzalez, AlfonsoRodríguez-Hernandez, PlacidaPopescu, CatalinBettinelli, MarcoMishra, Karuna K.Cuenca-Gotor, Vanesa Paula\|\|\|0000-0003-0819-8528Sans-Tresserras, Juan Ángel\|\|\|0000-0001-9047-3992Gomis, O.\|\|\|0000-0001-6763-0638Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705High-pressureSynchrotron radiationX-ray diffractionInelastic light scatteringPhosphorsAnisotropyFISICA APLICADA[EN] YBO3 is used in photonics applications as a host for red phosphors due to its desirable chemical stability, high quantum efficiency and luminescence intensity. Despite its fundamental thermodynamic nature, the isothermal bulk modulus of YBO3 has remained a contentious issue due to a lack of comprehensive experimental and theoretical data and its vibrational modes are far from being understood. Here, we present an experimental-theoretical structural and vibrational study of YBO3. From structural data obtained from synchrotron X-ray diffraction data and ab initio calculations, we have determined the YBO3 bulk modulus, isothermal compressibility tensor and pressure-volume (P-V) equation of state (EoS). The isothermal compressibility tensor reveals that the compressibility of YBO3 is highly anisotropic, with the principal compression axis lying perpendicular to the ab-plane being approximately twice as stiff as the two axes perpendicular to it. From the vibrational data obtained from Raman scattering measurements and ab initio calculations, the experimental and calculated pressure response of the YBO3 Raman modes is also determined with the corresponding Grüneisen parameters and the symmetry of the experimental modes has been tentatively assigned and discussed. No evidence for a pressure-induced phase transition in YBO3 is observed up to 27 GPa, however we note that an apparent discontinuity in the compressibility at 8 GPa, likely due to the onset of non-hydrostaticity, could lead to the misinterpretation of an atypically high bulk modulus.The authors thank the financial support from the Spanish Ministerio de Ciencia, Innovacion y Universidades, Spanish Research Agency (AEI), Generalitat Valenciana, and European Fund for Regional Development (ERDF, FEDER) under grants no. F15201783295-P, MAT2016-75586-C4-1/2/3-P, RTI2018-101020-BI00, PID2019-106383 GB-C41/C42/C43, RED2018-102612-T (MALTA Consolier Team), and Prometeo/2018/123 (EFIMAT). R.T. acknowledges funding from the Spanish MINECO via the Juan de la Cierva Formacion program (FJC2018-036185-I), and J.A.S. acknowledges funding from the Ramon y Cajal fellowship program (RYC-201517482). The authors gratefully thank Erica Viviani (Univ. Verona) for expert technical assistance. The authors also acknowledge ALBA synchrotron (Barcelona, Spain) for provision of synchrotron radiation facilities at the MSPD-BL04 beamline. Parts of this research were carried out under proposal 2016021648.ElsevierDepartamento de Física AplicadaEscuela Técnica Superior de Ingeniería Aeroespacial y Diseño IndustrialInstituto de Diseño para la Fabricación y Producción AutomatizadaEscuela Politécnica Superior de AlcoyCentro de Tecnologías Físicas: Acústica, Materiales y AstrofísicaGeneralitat ValencianaAGENCIA ESTATAL DE INVESTIGACIONMinisterio de Economía y EmpresaAgencia Estatal de InvestigaciónEuropean Regional Development FundMinisterio de Economía y CompetitividadRepositorio Institucional de la Universitat Politècnica de València Riunet20212021-01-05journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfapplication/pdfhttps://riunet.upv.es/handle/10251/186404reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 FIS2017-83295-P EN BUSCA DE LA REACCION DEL HELIO EN CONDICIONES EXTREMASMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2016-75586-C4-1-PAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-106383GB-C41 OXIDOS Y METALES BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICASMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2016-75586-C4-3-PAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-106383GB-C42 SESQUIOXIDOS Y COMPUESTOS METAVALENTES BAJO CONDICIONES EXTREMASGeneralitat Valenciana https://doi.org/10.13039/501100003359 GVPROMETEO2018-123 Materiales avanzados para el uso eficiente de la energia (EFIMAT)Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-106383GB-C43 SIMULACIONES AB INITIO DE MATERIALES AVANZADOS BAJO CONDICIONES EXTREMASAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 MAT2016-75586-C4-2-P COMPUESTOS ABO3 Y A2X3 EN CONDICIONES EXTREMAS DE PRESION Y TEMPERATURAAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 RTI2018-101020-B-I00 ANALISIS Y DESARROLLO DE MATERIALES PARA SU INTEGRACION EN CELULAS SOLARES BASADAS EN NANOHILOS III-VAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 RED2018-102612-T MALTA- CONSOLIDER TEAMMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 RYC-2015-17482 RYC-2015-17482open accesshttp://purl.org/coar/access_right/c_abf2Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) http://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:riunet.upv.es:10251/1864042026-06-13T07:49:27Z
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Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.

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