Synthesis and High-Pressure Study of Corundum-Type In2O3

García-Domene, B.; Sans Tresserras, Juan Ángel; Ovsyannikov, Sergey V.; Dubrovinsky, L.S.; Martinez-Garcia, D.; Gomis, O.; Errandonea, D.; Moutaabbid, H.; Le Godec, Y.; Ortiz, H.M.; Muñoz, A.; Rodríguez-Hernández, P.; Popescu, C.; Manjón, Francisco-Javier|||0000-0002-3926-1705

Synthesis and High-Pressure Study of Corundum-Type In2O3

This work reports the high-pressure and high-temperature (HP-HT) synthesis of pure rhombohedral (corundum-type) phase of indium oxide (In2O3) from its most stable polymorph, cubic bixbyite-type In2O3, using a multianvil press. Structural and vibrational properties of corundum-type In2O3 (rh-In2O3) h...

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Autores:	García-Domene, B., Sans Tresserras, Juan Ángel, Ovsyannikov, Sergey V., Dubrovinsky, L.S., Martinez-Garcia, D., Gomis, O., Errandonea, D., Moutaabbid, H., Le Godec, Y., Ortiz, H.M., Muñoz, A., Rodríguez-Hernández, P., Popescu, C., Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
Tipo de recurso:	artículo
Fecha de publicación:	2015
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:10251/66258
Acceso en línea:	https://riunet.upv.es/handle/10251/66258
Access Level:	acceso abierto
Palabra clave:	Indium oxide HP-HT synthesis Corundum X-ray diffraction Raman spectroscopy High-pressure Ab initio calculations FISICA APLICADA

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spelling	Synthesis and High-Pressure Study of Corundum-Type In2O3García-Domene, B.Sans Tresserras, Juan ÁngelOvsyannikov, Sergey V.Dubrovinsky, L.S.Martinez-Garcia, D.Gomis, O.Errandonea, D.Moutaabbid, H.Le Godec, Y.Ortiz, H.M.Muñoz, A.Rodríguez-Hernández, P.Popescu, C.Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705Indium oxideHP-HT synthesisCorundumX-ray diffractionRaman spectroscopyHigh-pressureAb initio calculationsFISICA APLICADAThis work reports the high-pressure and high-temperature (HP-HT) synthesis of pure rhombohedral (corundum-type) phase of indium oxide (In2O3) from its most stable polymorph, cubic bixbyite-type In2O3, using a multianvil press. Structural and vibrational properties of corundum-type In2O3 (rh-In2O3) have been characterized by means of angle-dispersive powder X-ray diffraction and Raman scattering measurements at high pressures which have been compared to structural and lattice dynamics ab initio calculations. The equation of state and the pressure dependence of the Raman-active modes of the corundum-type phase are reported and compared to those of corundum (α-Al2O3). It can be concluded that rh-In2O3 is stable under compression up to 14 GPa and it gradually transforms to the orthorhombic Rh2O3−III structure with Pbca space group (N. 61) between 14 and 26 GPa. The bulk modulus, axial compressibilities, and the pressure range of stability of the corundumtype phase in group IIIA sesquioxides A2O3 (A = Al, Ga, and In) are discussed.This work is supported by the Spanish MICINN Projects MAT2013-46649-C4-1/2/3-P, CSD2007-00045, and MAT2015-71070-REDC and by the Generalitat Valenciana under Projects GV06/151 and ACOMP/2014/243. A.M. and P.R-H. want to thank computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. B.G.-D. and J.A.S. acknowledge financial support through the FPI program and Juan de la Cierva fellowship, respectively. S.V.O. acknowledges the financial support of the Deutsche Forschungsgemeinschaft (DFG) under Project OV-110/1-2.American Chemical SocietyDepartamento de Física AplicadaEscuela Técnica Superior de Ingeniería Aeroespacial y Diseño IndustrialInstituto de Diseño para la Fabricación y Producción AutomatizadaMinisterio de Educación y CienciaMinisterio de Economía y CompetitividadGeneralitat ValencianaDeutsche ForschungsgemeinschaftRepositorio Institucional de la Universitat Politècnica de València Riunet20152015-12-31journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfapplication/pdfhttps://riunet.upv.es/handle/10251/66258reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2013-46649-C4-3-P ESTUDIO AB INITIO DE OXIDO METALICOS, MATERIALES Y NANOMATERIALES BAJO CONDICIONES EXTREMASMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2013-46649-C4-1-P ORTOVANADATOS BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICASMinisterio de Educación y Ciencia https://doi.org/10.13039/501100008743 CSD2007-00045 MATERIA A ALTA PRESIONMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2013-46649-C4-2-P OXIDOS METALICOS ABO3 EN CONDICIONES EXTREMASMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2015-71070-REDC MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAMGeneralitat Valenciana https://doi.org/10.13039/501100003359 GV06%2F151Generalitat Valenciana https://doi.org/10.13039/501100003359 ACOMP%2F2014%2F243Deutsche Forschungsgemeinschaft https://doi.org/10.13039/501100001659 OV-110%2F1-2open accesshttp://purl.org/coar/access_right/c_abf2Reserva de todos los derechoshttp://rightsstatements.org/vocab/InC/1.0/info:eu-repo/semantics/openAccessoai:riunet.upv.es:10251/662582026-06-13T07:49:27Z
dc.title.none.fl_str_mv	Synthesis and High-Pressure Study of Corundum-Type In2O3
title	Synthesis and High-Pressure Study of Corundum-Type In2O3
spellingShingle	Synthesis and High-Pressure Study of Corundum-Type In2O3 García-Domene, B. Indium oxide HP-HT synthesis Corundum X-ray diffraction Raman spectroscopy High-pressure Ab initio calculations FISICA APLICADA
title_short	Synthesis and High-Pressure Study of Corundum-Type In2O3
title_full	Synthesis and High-Pressure Study of Corundum-Type In2O3
title_fullStr	Synthesis and High-Pressure Study of Corundum-Type In2O3
title_full_unstemmed	Synthesis and High-Pressure Study of Corundum-Type In2O3
title_sort	Synthesis and High-Pressure Study of Corundum-Type In2O3
dc.creator.none.fl_str_mv	García-Domene, B. Sans Tresserras, Juan Ángel Ovsyannikov, Sergey V. Dubrovinsky, L.S. Martinez-Garcia, D. Gomis, O. Errandonea, D. Moutaabbid, H. Le Godec, Y. Ortiz, H.M. Muñoz, A. Rodríguez-Hernández, P. Popescu, C. Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
author	García-Domene, B.
author_facet	García-Domene, B. Sans Tresserras, Juan Ángel Ovsyannikov, Sergey V. Dubrovinsky, L.S. Martinez-Garcia, D. Gomis, O. Errandonea, D. Moutaabbid, H. Le Godec, Y. Ortiz, H.M. Muñoz, A. Rodríguez-Hernández, P. Popescu, C. Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
author_role	author
author2	Sans Tresserras, Juan Ángel Ovsyannikov, Sergey V. Dubrovinsky, L.S. Martinez-Garcia, D. Gomis, O. Errandonea, D. Moutaabbid, H. Le Godec, Y. Ortiz, H.M. Muñoz, A. Rodríguez-Hernández, P. Popescu, C. Manjón, Francisco-Javier\|\|\|0000-0002-3926-1705
author2_role	author author author 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 Ministerio de Educación y Ciencia Ministerio de Economía y Competitividad Generalitat Valenciana Deutsche Forschungsgemeinschaft Repositorio Institucional de la Universitat Politècnica de València Riunet
dc.subject.none.fl_str_mv	Indium oxide HP-HT synthesis Corundum X-ray diffraction Raman spectroscopy High-pressure Ab initio calculations FISICA APLICADA
topic	Indium oxide HP-HT synthesis Corundum X-ray diffraction Raman spectroscopy High-pressure Ab initio calculations FISICA APLICADA
description	This work reports the high-pressure and high-temperature (HP-HT) synthesis of pure rhombohedral (corundum-type) phase of indium oxide (In2O3) from its most stable polymorph, cubic bixbyite-type In2O3, using a multianvil press. Structural and vibrational properties of corundum-type In2O3 (rh-In2O3) have been characterized by means of angle-dispersive powder X-ray diffraction and Raman scattering measurements at high pressures which have been compared to structural and lattice dynamics ab initio calculations. The equation of state and the pressure dependence of the Raman-active modes of the corundum-type phase are reported and compared to those of corundum (α-Al2O3). It can be concluded that rh-In2O3 is stable under compression up to 14 GPa and it gradually transforms to the orthorhombic Rh2O3−III structure with Pbca space group (N. 61) between 14 and 26 GPa. The bulk modulus, axial compressibilities, and the pressure range of stability of the corundumtype phase in group IIIA sesquioxides A2O3 (A = Al, Ga, and In) are discussed.
publishDate	2015
dc.date.none.fl_str_mv	2015 2015-12-31
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/10251/66258
url	https://riunet.upv.es/handle/10251/66258
dc.language.none.fl_str_mv	Inglés eng
language_invalid_str_mv	Inglés
language	eng
dc.relation.none.fl_str_mv	Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2013-46649-C4-3-P ESTUDIO AB INITIO DE OXIDO METALICOS, MATERIALES Y NANOMATERIALES BAJO CONDICIONES EXTREMAS Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2013-46649-C4-1-P ORTOVANADATOS BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS Ministerio de Educación y Ciencia https://doi.org/10.13039/501100008743 CSD2007-00045 MATERIA A ALTA PRESION Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2013-46649-C4-2-P OXIDOS METALICOS ABO3 EN CONDICIONES EXTREMAS Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2015-71070-REDC MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM Generalitat Valenciana https://doi.org/10.13039/501100003359 GV06%2F151 Generalitat Valenciana https://doi.org/10.13039/501100003359 ACOMP%2F2014%2F243 Deutsche Forschungsgemeinschaft https://doi.org/10.13039/501100001659 OV-110%2F1-2
dc.rights.none.fl_str_mv	open access http://purl.org/coar/access_right/c_abf2 Reserva de todos los derechos http://rightsstatements.org/vocab/InC/1.0/
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 Reserva de todos los derechos http://rightsstatements.org/vocab/InC/1.0/
eu_rights_str_mv	openAccess
dc.format.none.fl_str_mv	application/pdf application/pdf
dc.publisher.none.fl_str_mv	American Chemical Society
publisher.none.fl_str_mv	American Chemical Society
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
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Synthesis and High-Pressure Study of Corundum-Type In2O3

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