Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite

We present a comprehensive structural study of the charge-orbital ordering and magnetic phase transitions observed in the A-site ordered SmBa Mn2 O6 perovskite combining synchrotron radiation x-ray powder diffraction and symmetry-adapted modes analysis. In SmBa Mn2 O6, successive phase transitions i...

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Autores: Blasco, Javier, Subías, Gloria, García Muñoz, Josep Lluís, Fauth, François, Sánchez, M. C., García, Joaquín
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2021
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/266280
Acceso en línea:http://hdl.handle.net/10261/266280
Access Level:acceso abierto
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spelling Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskiteBlasco, JavierSubías, GloriaGarcía Muñoz, Josep LluísFauth, FrançoisSánchez, M. C.García, JoaquínWe present a comprehensive structural study of the charge-orbital ordering and magnetic phase transitions observed in the A-site ordered SmBa Mn2 O6 perovskite combining synchrotron radiation x-ray powder diffraction and symmetry-adapted modes analysis. In SmBa Mn2 O6, successive phase transitions in charge, spin, and lattice degrees of freedom take place with decreasing temperature at TCO1≈380K, TCO2≈190K, and TN≈250K. The main difference between the two charge-ordered phases concerns the stacking sequence along the c axis, which is double for the high temperature charge-ordered phase and has led to controversy in the literature. We show that both charge-ordered phases are pseudosymmetric with respect to the ideal undistorted tetragonal structure of A-site ordered RBa Mn2O6 perovskites and lead to two nonequivalent Mn sites. However, the charge segregation stabilizes at about 0.35e− in the low temperature charge-ordered phase, clearly below the nominal separation of one charge unit between Mn3+ and Mn4+ and undergoes a prominent increase in the high temperature charge-ordered phase when warming above ≈250K. The two Mn sites are anisotropic in both charge-ordered phases but the analysis of the active modes discloses that only the low temperature charge-ordered phase displays a Jahn-Teller-like distortion for one of the Mn sites. In addition, this low temperature charge-ordered phase has polar symmetry compatible with ferroelectricity along the a axis.For financial support, we thank the Spanish Ministerio de Ciencia, Innovación y Universidades (Projects No. RTI2018-098537-B-C22 and No. RTI2018-098537-B-C21 cofunded by ERDF from EU, and Severo Ochoa FUNFUTURE, CEX2019-000917-S) and Diputación General de Aragón (Project No. E12-20R).Peer reviewedAmerican Physical SocietyMinisterio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)European CommissionDiputación General de AragónConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202220222021info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/266280reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098537-B-C22info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098537-B-C21https://doi.org/10.1103/PhysRevB.103.214110Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2662802026-05-22T06:33:51Z
dc.title.none.fl_str_mv Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
title Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
spellingShingle Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
Blasco, Javier
title_short Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
title_full Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
title_fullStr Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
title_full_unstemmed Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
title_sort Symmetry mode analysis of distorted polar/nonpolar structures in A-site ordered SmBa Mn2 O6 perovskite
dc.creator.none.fl_str_mv Blasco, Javier
Subías, Gloria
García Muñoz, Josep Lluís
Fauth, François
Sánchez, M. C.
García, Joaquín
author Blasco, Javier
author_facet Blasco, Javier
Subías, Gloria
García Muñoz, Josep Lluís
Fauth, François
Sánchez, M. C.
García, Joaquín
author_role author
author2 Subías, Gloria
García Muñoz, Josep Lluís
Fauth, François
Sánchez, M. C.
García, Joaquín
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
European Commission
Diputación General de Aragón
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description We present a comprehensive structural study of the charge-orbital ordering and magnetic phase transitions observed in the A-site ordered SmBa Mn2 O6 perovskite combining synchrotron radiation x-ray powder diffraction and symmetry-adapted modes analysis. In SmBa Mn2 O6, successive phase transitions in charge, spin, and lattice degrees of freedom take place with decreasing temperature at TCO1≈380K, TCO2≈190K, and TN≈250K. The main difference between the two charge-ordered phases concerns the stacking sequence along the c axis, which is double for the high temperature charge-ordered phase and has led to controversy in the literature. We show that both charge-ordered phases are pseudosymmetric with respect to the ideal undistorted tetragonal structure of A-site ordered RBa Mn2O6 perovskites and lead to two nonequivalent Mn sites. However, the charge segregation stabilizes at about 0.35e− in the low temperature charge-ordered phase, clearly below the nominal separation of one charge unit between Mn3+ and Mn4+ and undergoes a prominent increase in the high temperature charge-ordered phase when warming above ≈250K. The two Mn sites are anisotropic in both charge-ordered phases but the analysis of the active modes discloses that only the low temperature charge-ordered phase displays a Jahn-Teller-like distortion for one of the Mn sites. In addition, this low temperature charge-ordered phase has polar symmetry compatible with ferroelectricity along the a axis.
publishDate 2021
dc.date.none.fl_str_mv 2021
2022
2022
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/266280
url http://hdl.handle.net/10261/266280
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098537-B-C22
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098537-B-C21
https://doi.org/10.1103/PhysRevB.103.214110
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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