Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities

The interplay between the Jahn-Teller (JT) effect and octahedron tilting in transition-metal perovskites is investigated as a function of pressure. Our focus is on its effects on the exchange and electron-phonon interactions, both having a strong influence on materials properties. We demonstrate tha...

Full description

Bibliographic Details
Authors: Aguado Menéndez, Fernando|||0000-0003-2912-0228, Valiente Barroso, Rafael|||0000-0001-9855-8309, Rodríguez González, Fernando|||0000-0002-4046-2969, Itiè, Jean-Paul, Hanfland, Michael
Format: article
Publication Date:2012
Country:España
Institution:Universidad de Cantabria (UC)
Repository:UCrea Repositorio Abierto de la Universidad de Cantabria
Language:English
OAI Identifier:oai:repositorio.unican.es:10902/29217
Online Access:https://hdl.handle.net/10902/29217
Access Level:Open access
id ES_2e0a319cba66fa0cd62f9c650ee0959f
oai_identifier_str oai:repositorio.unican.es:10902/29217
network_acronym_str ES
network_name_str España
repository_id_str
spelling Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilitiesAguado Menéndez, Fernando|||0000-0003-2912-0228Valiente Barroso, Rafael|||0000-0001-9855-8309Rodríguez González, Fernando|||0000-0002-4046-2969Itiè, Jean-PaulHanfland, MichaelThe interplay between the Jahn-Teller (JT) effect and octahedron tilting in transition-metal perovskites is investigated as a function of pressure. Our focus is on its effects on the exchange and electron-phonon interactions, both having a strong influence on materials properties. We demonstrate that the JT distortion in Cu2+ and Mn3+ is reduced upon compression and is eventually suppressed at pressures above 20 GPa. X-ray diffraction and x-ray absorption measurements in A2CuCl4 layer perovskites (A: Rb, CnH2n+1NH3; n = 1–3) show that, although pressure slightly reduces the long Cu-Cl distance in comparison to the Cu-Cu distance in the layer, the JT distortion is stable in the 0–20 GPa range. The difference between lattice (βC 0 = 0.14 GPa−1) and local CuCl6 (β0 = 0.016 GPa−1) compressibilities, together with the high stability of the JT distortion, lead to CuCl6 tilts upon compression. The evolution of the elongated CuCl6 octahedron in A2CuCl4, as well as MnF6 in CsMnF4 and MnO6 in LaMnO3 and DyMnO3, toward a nearly regular octahedron takes place above 20 GPa, in agreement with experimental results and a model analysis based on the JT energy derived from optical absorption spectroscopy: EJT = 0.25–0.45 eV/Cu2+, EJT = 0.45 eV/Mn3+ (CsMnF4), and EJT = 0.25 eV/Mn3+ (LaMnO3). The proposed model clarifies controversial results about pressure-induced JT quenching in Cu2+ and Mn3+ systems, providing an efficient complementary means to predict pressure behavior in perovskites containing JT transition-metal ions.Financial support from the Spanish Ministerio de Ciencia e Innovacion (Grant No. MAT2008-06873-C02-01/MAT) ´ is acknowledged. X-ray absorption and diffraction experiments were done at D11/LURE (Project PS203-01), and ID09A/ESRF (HS2159), respectively. The MALTA Consolider Ingenio 2010 program (CSD2007-00045) is also acknowledged.American Physical SocietyUniversidad de Cantabria20122012-03-26journal articlehttp://purl.org/coar/resource_type/c_6501NAhttp://purl.org/coar/version/c_be7fb7dd8ff6fe43info:eu-repo/semantics/articlehttps://hdl.handle.net/10902/29217Physical Review B - Condensed Matter and Materials Physics, 2012, 85(10), 100101(R)reponame:UCrea Repositorio Abierto de la Universidad de Cantabriainstname:Universidad de Cantabria (UC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.unican.es:10902/292172026-06-02T12:39:31Z
dc.title.none.fl_str_mv Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
title Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
spellingShingle Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
Aguado Menéndez, Fernando|||0000-0003-2912-0228
title_short Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
title_full Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
title_fullStr Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
title_full_unstemmed Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
title_sort Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
dc.creator.none.fl_str_mv Aguado Menéndez, Fernando|||0000-0003-2912-0228
Valiente Barroso, Rafael|||0000-0001-9855-8309
Rodríguez González, Fernando|||0000-0002-4046-2969
Itiè, Jean-Paul
Hanfland, Michael
author Aguado Menéndez, Fernando|||0000-0003-2912-0228
author_facet Aguado Menéndez, Fernando|||0000-0003-2912-0228
Valiente Barroso, Rafael|||0000-0001-9855-8309
Rodríguez González, Fernando|||0000-0002-4046-2969
Itiè, Jean-Paul
Hanfland, Michael
author_role author
author2 Valiente Barroso, Rafael|||0000-0001-9855-8309
Rodríguez González, Fernando|||0000-0002-4046-2969
Itiè, Jean-Paul
Hanfland, Michael
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Universidad de Cantabria
description The interplay between the Jahn-Teller (JT) effect and octahedron tilting in transition-metal perovskites is investigated as a function of pressure. Our focus is on its effects on the exchange and electron-phonon interactions, both having a strong influence on materials properties. We demonstrate that the JT distortion in Cu2+ and Mn3+ is reduced upon compression and is eventually suppressed at pressures above 20 GPa. X-ray diffraction and x-ray absorption measurements in A2CuCl4 layer perovskites (A: Rb, CnH2n+1NH3; n = 1–3) show that, although pressure slightly reduces the long Cu-Cl distance in comparison to the Cu-Cu distance in the layer, the JT distortion is stable in the 0–20 GPa range. The difference between lattice (βC 0 = 0.14 GPa−1) and local CuCl6 (β0 = 0.016 GPa−1) compressibilities, together with the high stability of the JT distortion, lead to CuCl6 tilts upon compression. The evolution of the elongated CuCl6 octahedron in A2CuCl4, as well as MnF6 in CsMnF4 and MnO6 in LaMnO3 and DyMnO3, toward a nearly regular octahedron takes place above 20 GPa, in agreement with experimental results and a model analysis based on the JT energy derived from optical absorption spectroscopy: EJT = 0.25–0.45 eV/Cu2+, EJT = 0.45 eV/Mn3+ (CsMnF4), and EJT = 0.25 eV/Mn3+ (LaMnO3). The proposed model clarifies controversial results about pressure-induced JT quenching in Cu2+ and Mn3+ systems, providing an efficient complementary means to predict pressure behavior in perovskites containing JT transition-metal ions.
publishDate 2012
dc.date.none.fl_str_mv 2012
2012-03-26
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
NA
http://purl.org/coar/version/c_be7fb7dd8ff6fe43
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/10902/29217
url https://hdl.handle.net/10902/29217
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
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 Physical Review B - Condensed Matter and Materials Physics, 2012, 85(10), 100101(R)
reponame:UCrea Repositorio Abierto de la Universidad de Cantabria
instname:Universidad de Cantabria (UC)
instname_str Universidad de Cantabria (UC)
reponame_str UCrea Repositorio Abierto de la Universidad de Cantabria
collection UCrea Repositorio Abierto de la Universidad de Cantabria
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869405376505446400
score 15.301603

Similar Items