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
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/129650
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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 |
url |
http://sedici.unlp.edu.ar/handle/10915/129650 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/2053-1591 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) |
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