Exotic Magnetism in Perovskite KOsO3

A new perovskite KOsO3 has been stabilized under high-pressure and high-temperature conditions. It is cubic at 500 K (Pm-3m) and undergoes subsequent phase transitions to tetragonal at 320 K (P4/mmm) and rhombohedral (R-3m) at 230 K as shown from refining synchrotron x-ray powder diffraction (SXRD)...

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Authors: Chen, J., Li, H., Gainza, Javier, Muñoz, A., Alonso, J.A., Liu, J., Chen, Y.-S., Belik, A.A., Yamaura, K., He, J., Li, X., Goodenough, J.B., Zhou, J.-S.
Format: article
Status:Published version
Publication Date:2024
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/393460
Online Access:http://hdl.handle.net/10261/393460
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190065479&doi=10.1103%2fPhysRevLett.132.156701&partnerID=40&md5=f130172fdc55aea28ee531a658a4be91
Access Level:Open access
Keyword:Magnetic interactions
Magnetic order
Antiferromagnets
Density functional theory
First-principles calculations
Neutron diffraction
Sintering
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spelling Exotic Magnetism in Perovskite KOsO3Chen, J.Li, H.Gainza, JavierMuñoz, A.Alonso, J.A.Liu, J.Chen, Y.-S.Belik, A.A.Yamaura, K.He, J.Li, X.Goodenough, J.B.Zhou, J.-S.Magnetic interactionsMagnetic orderAntiferromagnetsDensity functional theoryFirst-principles calculationsNeutron diffractionSinteringA new perovskite KOsO3 has been stabilized under high-pressure and high-temperature conditions. It is cubic at 500 K (Pm-3m) and undergoes subsequent phase transitions to tetragonal at 320 K (P4/mmm) and rhombohedral (R-3m) at 230 K as shown from refining synchrotron x-ray powder diffraction (SXRD) data. The larger orbital overlap integral and the extended wave function of 5d electrons in the perovskite KOsO3 allow to explore physics from the regime where Mott and Hund's rule couplings dominate to the state where the multiple interactions are on equal footing. We demonstrate an exotic magnetic ordering phase found by neutron powder diffraction along with physical properties via a suite of measurements including magnetic and transport properties, differential scanning calorimetry, and specific heat, which provide comprehensive information for a system at the crossover from localized to itinerant electronic behavior. © 2024 American Physical Society.This research was primarily supported by the National Science Foundation through the Center for Dynamics and Control of Materials: an NSF MRSEC under Cooperative Agreement No. DMR-1720595 and DMR-2308817. J. B. G. was supported by the Welch Foundation (F-1066) . J. G. thanks Ministerio de Ciencia e Innovacion (MICINN) for granting the contract PRE2018-083398. J. A. A. thanks the Spanish Ministry of Science and Innovation for granting the project No. PID2021-122477OB-I00. NSF ' s ChemMatCARS, Sector 15 at the Advanced Photon Source (APS) , Argonne National Laboratory (ANL) is supported by the Divisions of Chemistry (CHE) and Materials Research (DMR) , National Science Foundation, under Grant No. NSF/CHE-1834750. Use of APS, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by ANL, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Neutron powder diffraction measurements used resources at the Spallation Neutron Source (NOMAD instrument) , a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. MANA is funded by MEXT ' s WPI, Japan. Synchrotron radiation at SPring-8 (BL02B2) was used under Japan Synchrotron Radiation Research Institute approval (2023A2361, 2023B1676) . All simulations were performed on the high-performance computational clusters of Texas Advanced Computing Center (TACC) . J. S. Z. is grateful for the enlightening discussion with Allan MacDonald.Supplemental Material (Subscription Required)Peer reviewedAmerican Physical SocietyConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/393460https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190065479&doi=10.1103%2fPhysRevLett.132.156701&partnerID=40&md5=f130172fdc55aea28ee531a658a4be91reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésPhysical Review Lettershttps://doi.org/10.1103/PhysRevLett.132.156701Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3934602026-05-22T06:33:51Z
dc.title.none.fl_str_mv Exotic Magnetism in Perovskite KOsO3
title Exotic Magnetism in Perovskite KOsO3
spellingShingle Exotic Magnetism in Perovskite KOsO3
Chen, J.
Magnetic interactions
Magnetic order
Antiferromagnets
Density functional theory
First-principles calculations
Neutron diffraction
Sintering
title_short Exotic Magnetism in Perovskite KOsO3
title_full Exotic Magnetism in Perovskite KOsO3
title_fullStr Exotic Magnetism in Perovskite KOsO3
title_full_unstemmed Exotic Magnetism in Perovskite KOsO3
title_sort Exotic Magnetism in Perovskite KOsO3
dc.creator.none.fl_str_mv Chen, J.
Li, H.
Gainza, Javier
Muñoz, A.
Alonso, J.A.
Liu, J.
Chen, Y.-S.
Belik, A.A.
Yamaura, K.
He, J.
Li, X.
Goodenough, J.B.
Zhou, J.-S.
author Chen, J.
author_facet Chen, J.
Li, H.
Gainza, Javier
Muñoz, A.
Alonso, J.A.
Liu, J.
Chen, Y.-S.
Belik, A.A.
Yamaura, K.
He, J.
Li, X.
Goodenough, J.B.
Zhou, J.-S.
author_role author
author2 Li, H.
Gainza, Javier
Muñoz, A.
Alonso, J.A.
Liu, J.
Chen, Y.-S.
Belik, A.A.
Yamaura, K.
He, J.
Li, X.
Goodenough, J.B.
Zhou, J.-S.
author2_role author
author
author
author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Magnetic interactions
Magnetic order
Antiferromagnets
Density functional theory
First-principles calculations
Neutron diffraction
Sintering
topic Magnetic interactions
Magnetic order
Antiferromagnets
Density functional theory
First-principles calculations
Neutron diffraction
Sintering
description A new perovskite KOsO3 has been stabilized under high-pressure and high-temperature conditions. It is cubic at 500 K (Pm-3m) and undergoes subsequent phase transitions to tetragonal at 320 K (P4/mmm) and rhombohedral (R-3m) at 230 K as shown from refining synchrotron x-ray powder diffraction (SXRD) data. The larger orbital overlap integral and the extended wave function of 5d electrons in the perovskite KOsO3 allow to explore physics from the regime where Mott and Hund's rule couplings dominate to the state where the multiple interactions are on equal footing. We demonstrate an exotic magnetic ordering phase found by neutron powder diffraction along with physical properties via a suite of measurements including magnetic and transport properties, differential scanning calorimetry, and specific heat, which provide comprehensive information for a system at the crossover from localized to itinerant electronic behavior. © 2024 American Physical Society.
publishDate 2024
dc.date.none.fl_str_mv 2024
2025
2025
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/10261/393460
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190065479&doi=10.1103%2fPhysRevLett.132.156701&partnerID=40&md5=f130172fdc55aea28ee531a658a4be91
url http://hdl.handle.net/10261/393460
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190065479&doi=10.1103%2fPhysRevLett.132.156701&partnerID=40&md5=f130172fdc55aea28ee531a658a4be91
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Physical Review Letters
https://doi.org/10.1103/PhysRevLett.132.156701
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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