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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/48371
Ver los metadatos del registro completo
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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 Técnicas2025-09-29T09:55:02Zoai: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:34982025-09-29 09:55:02.734CONICET 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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1844613662258495488 |
score |
13.070432 |