Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges

Autores
Massa, Nestor Emilio; Ramos, Aline Y; Tolentino, Helio C N; Sousa-Neto, Narcizo M; Fonseca, Jairo; Alonso, José Antonio
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We report on XANES and EXAFS measurements of SmNiO3 from 20 K to 600 K and up to 38 GPa at the Ni K- and Sm L3- edges. A multiple component pre- Ni K-edge tail is understood originating from 1s transitions to 3d-4p states while a post-edge shoulder increases distinctively smooth, at about the insulator to metal phase transition (TIM), due to the reduction of electron-phonon interactions as the Ni 3d and O 2p band overlap triggers the metallic phase. This effect is concomitant with pressure induced Ni-O-Ni angle increments toward more symmetric Ni3+ octahedra of the rhombohedral R¯3c space group. Room temperature pressure dependent Ni white line peak energies have an abrupt ~3.10±0.04 GPa Pa valence discontinuity from non-equivalent Ni3+δ + Ni3-δ charge disproportionate net unresolved absorber turning at ~TIM into Ni3+ of the orthorhombic Pbnm metal oxide phase. At 20 K the overall white line response, still distinctive at TIM ~8.1±0.6 GPa is much smoother due to localization. Octahedral bond contraction up to 38 GPa and at 300 K and 20 K show breaks in its monotonic increase at the different structural changes. The Sm L3-edge does not show distinctive behaviors either at 300 K or 20 K up about 35 GPa but the perovskite Sm cage, coordinated to eight oxygen atoms, undergoes strong uneven bond contractions at intermediate pressures where we found coexistence of octahedral and rhombohedral superexchange angle distortions. We found that the white line pressure dependent anomaly may be used as an accurate alternative for delineating pressure-temperature phase diagrams.
Fil: Massa, Nestor Emilio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Ramos, Aline Y. Centre National de la Recherche Scientifique; Francia
Fil: Tolentino, Helio C N. Centre National de la Recherche Scientifique; Francia
Fil: Sousa-Neto, Narcizo M. Laboratório Nacional de Luz Síncrotron; Brasil
Fil: Fonseca, Jairo. Laboratório Nacional de Luz Síncrotron; Brasil
Fil: Alonso, José Antonio. Consejo Superior de Investigaciones Científicas; España
Materia
X-Ray Absorption Spectra
High-Pressure Effects in Solids And Liquids
Metal-Insulator Transitions And Other Electronic Transitions
Strongly Correlated Electron Systems
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/48371
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/48371
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edgesMassa, Nestor EmilioRamos, Aline YTolentino, Helio C NSousa-Neto, Narcizo MFonseca, JairoAlonso, José AntonioX-Ray Absorption SpectraHigh-Pressure Effects in Solids And LiquidsMetal-Insulator Transitions And Other Electronic TransitionsStrongly Correlated Electron Systemshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We report on XANES and EXAFS measurements of SmNiO3 from 20 K to 600 K and up to 38 GPa at the Ni K- and Sm L3- edges. A multiple component pre- Ni K-edge tail is understood originating from 1s transitions to 3d-4p states while a post-edge shoulder increases distinctively smooth, at about the insulator to metal phase transition (TIM), due to the reduction of electron-phonon interactions as the Ni 3d and O 2p band overlap triggers the metallic phase. This effect is concomitant with pressure induced Ni-O-Ni angle increments toward more symmetric Ni3+ octahedra of the rhombohedral R¯3c space group. Room temperature pressure dependent Ni white line peak energies have an abrupt ~3.10±0.04 GPa Pa valence discontinuity from non-equivalent Ni3+δ + Ni3-δ charge disproportionate net unresolved absorber turning at ~TIM into Ni3+ of the orthorhombic Pbnm metal oxide phase. At 20 K the overall white line response, still distinctive at TIM ~8.1±0.6 GPa is much smoother due to localization. Octahedral bond contraction up to 38 GPa and at 300 K and 20 K show breaks in its monotonic increase at the different structural changes. The Sm L3-edge does not show distinctive behaviors either at 300 K or 20 K up about 35 GPa but the perovskite Sm cage, coordinated to eight oxygen atoms, undergoes strong uneven bond contractions at intermediate pressures where we found coexistence of octahedral and rhombohedral superexchange angle distortions. We found that the white line pressure dependent anomaly may be used as an accurate alternative for delineating pressure-temperature phase diagrams.Fil: Massa, Nestor Emilio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Ramos, Aline Y. Centre National de la Recherche Scientifique; FranciaFil: Tolentino, Helio C N. Centre National de la Recherche Scientifique; FranciaFil: Sousa-Neto, Narcizo M. Laboratório Nacional de Luz Síncrotron; BrasilFil: Fonseca, Jairo. Laboratório Nacional de Luz Síncrotron; BrasilFil: Alonso, José Antonio. Consejo Superior de Investigaciones Científicas; EspañaIOP Publishing2015-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/48371Massa, Nestor Emilio; Ramos, Aline Y; Tolentino, Helio C N; Sousa-Neto, Narcizo M; Fonseca, Jairo; et al.; Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges; IOP Publishing; Materials Research Express; 2; 12; 12-2015; 126301-1263152053-1591CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1088/2053-1591/2/12/126301info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/2053-1591/2/12/126301/metainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:24:07Zoai:ri.conicet.gov.ar:11336/48371instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:24:07.969CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
title Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
spellingShingle Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
Massa, Nestor Emilio
X-Ray Absorption Spectra
High-Pressure Effects in Solids And Liquids
Metal-Insulator Transitions And Other Electronic Transitions
Strongly Correlated Electron Systems
title_short Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
title_full Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
title_fullStr Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
title_full_unstemmed Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
title_sort Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
dc.creator.none.fl_str_mv Massa, Nestor Emilio
Ramos, Aline Y
Tolentino, Helio C N
Sousa-Neto, Narcizo M
Fonseca, Jairo
Alonso, José Antonio
author Massa, Nestor Emilio
author_facet Massa, Nestor Emilio
Ramos, Aline Y
Tolentino, Helio C N
Sousa-Neto, Narcizo M
Fonseca, Jairo
Alonso, José Antonio
author_role author
author2 Ramos, Aline Y
Tolentino, Helio C N
Sousa-Neto, Narcizo M
Fonseca, Jairo
Alonso, José Antonio
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv X-Ray Absorption Spectra
High-Pressure Effects in Solids And Liquids
Metal-Insulator Transitions And Other Electronic Transitions
Strongly Correlated Electron Systems
topic X-Ray Absorption Spectra
High-Pressure Effects in Solids And Liquids
Metal-Insulator Transitions And Other Electronic Transitions
Strongly Correlated Electron Systems
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We report on XANES and EXAFS measurements of SmNiO3 from 20 K to 600 K and up to 38 GPa at the Ni K- and Sm L3- edges. A multiple component pre- Ni K-edge tail is understood originating from 1s transitions to 3d-4p states while a post-edge shoulder increases distinctively smooth, at about the insulator to metal phase transition (TIM), due to the reduction of electron-phonon interactions as the Ni 3d and O 2p band overlap triggers the metallic phase. This effect is concomitant with pressure induced Ni-O-Ni angle increments toward more symmetric Ni3+ octahedra of the rhombohedral R¯3c space group. Room temperature pressure dependent Ni white line peak energies have an abrupt ~3.10±0.04 GPa Pa valence discontinuity from non-equivalent Ni3+δ + Ni3-δ charge disproportionate net unresolved absorber turning at ~TIM into Ni3+ of the orthorhombic Pbnm metal oxide phase. At 20 K the overall white line response, still distinctive at TIM ~8.1±0.6 GPa is much smoother due to localization. Octahedral bond contraction up to 38 GPa and at 300 K and 20 K show breaks in its monotonic increase at the different structural changes. The Sm L3-edge does not show distinctive behaviors either at 300 K or 20 K up about 35 GPa but the perovskite Sm cage, coordinated to eight oxygen atoms, undergoes strong uneven bond contractions at intermediate pressures where we found coexistence of octahedral and rhombohedral superexchange angle distortions. We found that the white line pressure dependent anomaly may be used as an accurate alternative for delineating pressure-temperature phase diagrams.
Fil: Massa, Nestor Emilio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Ramos, Aline Y. Centre National de la Recherche Scientifique; Francia
Fil: Tolentino, Helio C N. Centre National de la Recherche Scientifique; Francia
Fil: Sousa-Neto, Narcizo M. Laboratório Nacional de Luz Síncrotron; Brasil
Fil: Fonseca, Jairo. Laboratório Nacional de Luz Síncrotron; Brasil
Fil: Alonso, José Antonio. Consejo Superior de Investigaciones Científicas; España
description We report on XANES and EXAFS measurements of SmNiO3 from 20 K to 600 K and up to 38 GPa at the Ni K- and Sm L3- edges. A multiple component pre- Ni K-edge tail is understood originating from 1s transitions to 3d-4p states while a post-edge shoulder increases distinctively smooth, at about the insulator to metal phase transition (TIM), due to the reduction of electron-phonon interactions as the Ni 3d and O 2p band overlap triggers the metallic phase. This effect is concomitant with pressure induced Ni-O-Ni angle increments toward more symmetric Ni3+ octahedra of the rhombohedral R¯3c space group. Room temperature pressure dependent Ni white line peak energies have an abrupt ~3.10±0.04 GPa Pa valence discontinuity from non-equivalent Ni3+δ + Ni3-δ charge disproportionate net unresolved absorber turning at ~TIM into Ni3+ of the orthorhombic Pbnm metal oxide phase. At 20 K the overall white line response, still distinctive at TIM ~8.1±0.6 GPa is much smoother due to localization. Octahedral bond contraction up to 38 GPa and at 300 K and 20 K show breaks in its monotonic increase at the different structural changes. The Sm L3-edge does not show distinctive behaviors either at 300 K or 20 K up about 35 GPa but the perovskite Sm cage, coordinated to eight oxygen atoms, undergoes strong uneven bond contractions at intermediate pressures where we found coexistence of octahedral and rhombohedral superexchange angle distortions. We found that the white line pressure dependent anomaly may be used as an accurate alternative for delineating pressure-temperature phase diagrams.
publishDate 2015
dc.date.none.fl_str_mv 2015-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/48371
Massa, Nestor Emilio; Ramos, Aline Y; Tolentino, Helio C N; Sousa-Neto, Narcizo M; Fonseca, Jairo; et al.; Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges; IOP Publishing; Materials Research Express; 2; 12; 12-2015; 126301-126315
2053-1591
CONICET Digital
CONICET
url http://hdl.handle.net/11336/48371
identifier_str_mv Massa, Nestor Emilio; Ramos, Aline Y; Tolentino, Helio C N; Sousa-Neto, Narcizo M; Fonseca, Jairo; et al.; Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges; IOP Publishing; Materials Research Express; 2; 12; 12-2015; 126301-126315
2053-1591
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1088/2053-1591/2/12/126301
info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/2053-1591/2/12/126301/meta
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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