Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges

Autores
Massa, Néstor Emilio; Ramos, Aline Y.; Tolentino, Hélio 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
Wereport on x-ray absorption near-edge structure (XANES) and extended x-ray absorption fine; structure (EXAFS) measurements of SmNiO3 from 20 Kto 600 Kand up to 38 GPa at the NiKand Sm; L3 edges. A multiple component pre-NiKedge tail is understood, originating from 1 s transitions to; 3d-4p states while a post-edge shoulder increases distinctively smoothly, at about the insulator to; metal phase transition (TIM), due to the reduction of electron–phonon interactions as the Ni 3d andO; 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; 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 Kthe 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 Kand 20 Kshow breaks in its monotonic; increase at the different structural changes. The SmL3 edge does not show distinctive behaviors either; at 300 Kor 20 Kup to about 35 GPa but the perovskite Smcage, coordinated to eight oxygen atoms,; undergoes strong uneven bond contractions at intermediate pressures where we found the coexistence; of octahedral and rhombohedral superexchange angle distortions.Wefound that the white line; pressure-dependent anomaly may be used as an accurate alternative for delineating pressure–; temperature phase diagrams.
Centro de Química Inorgánica
Materia
Física
Química
X-ray absorption spectra
Hgh-pressure effects in solids
Metal–insulator transitions
Strongly correlated electron systems
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/129650

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repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edgesMassa, Néstor EmilioRamos, Aline Y.Tolentino, Hélio C. N.Sousa-Neto, Narcizo M.Fonseca, JairoAlonso, José AntonioFísicaQuímicaX-ray absorption spectraHgh-pressure effects in solidsMetal–insulator transitionsStrongly correlated electron systemsWereport on x-ray absorption near-edge structure (XANES) and extended x-ray absorption fine; structure (EXAFS) measurements of SmNiO3 from 20 Kto 600 Kand up to 38 GPa at the NiKand Sm; L3 edges. A multiple component pre-NiKedge tail is understood, originating from 1 s transitions to; 3d-4p states while a post-edge shoulder increases distinctively smoothly, at about the insulator to; metal phase transition (TIM), due to the reduction of electron–phonon interactions as the Ni 3d andO; 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; 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 Kthe 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 Kand 20 Kshow breaks in its monotonic; increase at the different structural changes. The SmL3 edge does not show distinctive behaviors either; at 300 Kor 20 Kup to about 35 GPa but the perovskite Smcage, coordinated to eight oxygen atoms,; undergoes strong uneven bond contractions at intermediate pressures where we found the coexistence; of octahedral and rhombohedral superexchange angle distortions.Wefound that the white line; pressure-dependent anomaly may be used as an accurate alternative for delineating pressure–; temperature phase diagrams.Centro de Química Inorgánica2015info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/129650enginfo:eu-repo/semantics/altIdentifier/issn/2053-1591info:eu-repo/semantics/altIdentifier/doi/10.1088/2053-1591/2/12/126301info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:31:17Zoai:sedici.unlp.edu.ar:10915/129650Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:31:17.684SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
title Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
spellingShingle Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
Massa, Néstor Emilio
Física
Química
X-ray absorption spectra
Hgh-pressure effects in solids
Metal–insulator transitions
Strongly correlated electron systems
title_short Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
title_full Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
title_fullStr Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
title_full_unstemmed Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
title_sort Temperature and high-pressure dependent x-ray absorption of SmNiO3 at the Ni K and Sm L3 edges
dc.creator.none.fl_str_mv Massa, Néstor Emilio
Ramos, Aline Y.
Tolentino, Hélio C. N.
Sousa-Neto, Narcizo M.
Fonseca, Jairo
Alonso, José Antonio
author Massa, Néstor Emilio
author_facet Massa, Néstor Emilio
Ramos, Aline Y.
Tolentino, Hélio C. N.
Sousa-Neto, Narcizo M.
Fonseca, Jairo
Alonso, José Antonio
author_role author
author2 Ramos, Aline Y.
Tolentino, Hélio C. N.
Sousa-Neto, Narcizo M.
Fonseca, Jairo
Alonso, José Antonio
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Física
Química
X-ray absorption spectra
Hgh-pressure effects in solids
Metal–insulator transitions
Strongly correlated electron systems
topic Física
Química
X-ray absorption spectra
Hgh-pressure effects in solids
Metal–insulator transitions
Strongly correlated electron systems
dc.description.none.fl_txt_mv Wereport on x-ray absorption near-edge structure (XANES) and extended x-ray absorption fine; structure (EXAFS) measurements of SmNiO3 from 20 Kto 600 Kand up to 38 GPa at the NiKand Sm; L3 edges. A multiple component pre-NiKedge tail is understood, originating from 1 s transitions to; 3d-4p states while a post-edge shoulder increases distinctively smoothly, at about the insulator to; metal phase transition (TIM), due to the reduction of electron–phonon interactions as the Ni 3d andO; 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; 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 Kthe 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 Kand 20 Kshow breaks in its monotonic; increase at the different structural changes. The SmL3 edge does not show distinctive behaviors either; at 300 Kor 20 Kup to about 35 GPa but the perovskite Smcage, coordinated to eight oxygen atoms,; undergoes strong uneven bond contractions at intermediate pressures where we found the coexistence; of octahedral and rhombohedral superexchange angle distortions.Wefound that the white line; pressure-dependent anomaly may be used as an accurate alternative for delineating pressure–; temperature phase diagrams.
Centro de Química Inorgánica
description Wereport on x-ray absorption near-edge structure (XANES) and extended x-ray absorption fine; structure (EXAFS) measurements of SmNiO3 from 20 Kto 600 Kand up to 38 GPa at the NiKand Sm; L3 edges. A multiple component pre-NiKedge tail is understood, originating from 1 s transitions to; 3d-4p states while a post-edge shoulder increases distinctively smoothly, at about the insulator to; metal phase transition (TIM), due to the reduction of electron–phonon interactions as the Ni 3d andO; 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; 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 Kthe 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 Kand 20 Kshow breaks in its monotonic; increase at the different structural changes. The SmL3 edge does not show distinctive behaviors either; at 300 Kor 20 Kup to about 35 GPa but the perovskite Smcage, coordinated to eight oxygen atoms,; undergoes strong uneven bond contractions at intermediate pressures where we found the coexistence; of octahedral and rhombohedral superexchange angle distortions.Wefound 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
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/129650
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info:eu-repo/semantics/altIdentifier/doi/10.1088/2053-1591/2/12/126301
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
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instname:Universidad Nacional de La Plata
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instname_str Universidad Nacional de La Plata
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institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
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