Atomic-Scale Determination of Cation and Magnetic Order in the Triple Perovskite Sr3Fe2ReO9

Ping-Luen Ho; Zhihao Huang; Lei Jin; Si-Young Choi; Rafal E. Dunin-Borkowski; Joachim Mayer; Shik Chi Edman Tsang; Xiaoyan Zhong

doi:10.1093/micmic/ozac011

Atomic-Scale Determination of Cation and Magnetic Order in the Triple Perovskite Sr₃Fe₂ReO₉

Ping-Luen Ho (Co-first Author), Zhihao Huang (Co-first Author), Lei Jin, Si-Young Choi, Rafal E. Dunin-Borkowski, Joachim Mayer, Shik Chi Edman Tsang, Xiaoyan Zhong^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Abstract

Pseudo-cubic (pc) perovskite oxides (ABO₃) that can have different magnetic cations with different types and degrees of order at B sites have attracted considerable interest as a result of their tunable magnetic properties. Nanoscale inhomogeneity in cation order on the B sites can lead to different magnetic ground states and electronic band structures in local sample regions. Here, we determine cation order on the atomic scale in a nanosized Sr₃Fe₂ReO₉ phase that has a 1:2 B-site-ordered triple perovskite structure using aberration-corrected analytical transmission electron microscopy (TEM), revealing that the Fe and Re cations form tripled-layered repeats with –[Fe–Fe–Re]_n– sequences along [111]_pc and an ordering vector of 1/3[111]*. To the best of our knowledge, this 1:2 B-site-ordered triple perovskite Sr₃Fe₂ReO₉ phase has not been reported before. Based on a relaxed theoretical model that is consistent with the experimental images, density functional theory calculations are performed to determine the magnetic ground states and exchange parameters of the newly discovered Sr₃Fe₂ReO₉ phase, in which nearest-neighbour Fe and Re cations are coupled antiferromagnetically. This combination of aberration-corrected analytical TEM and ab initio calculations provides physical insight into cation order and magnetic coupling in perovskite oxides at the atomic level. © The Author(s) 2022.

Original language	English
Pages (from-to)	326-333
Journal	Microscopy and Microanalysis
Volume	29
Issue number	1
Online published	15 Dec 2022
DOIs	https://doi.org/10.1093/micmic/ozac011
Publication status	Published - Feb 2023

Funding

This work was financially supported by National Natural Science Foundation of China (52171014, 52011530124), Science, Technology and Innovation Commission of Shenzhen Municipality (HZQB-KCZYB-2020031, SGDX20210823104200001, JCYJ20210324134402007), the Sino-German Mobility Program by the Sino-German Center for Research Promotion (M-0265), Science and Technology Department of Sichuan Province (2021YFSY0016), Innovation and Technology Fund (ITS/365/21), CityU Strategic Interdisciplinary Research Grant (7020016, 7020043), the City University of Hong Kong (Project nos 9610484, 9680291, 9678288, 9360162, 9610558) and the City University of Hong Kong Shenzhen Research Institute. The work described in this paper was substantially supported by a grant from the EU-HK Research and Innovation Cooperation Co-funding Mechanism sponsored by the Research Grants Council of Hong Kong Special Administrative Region, China (Project No. E-CityU101/20), Germany/Hong Kong Joint Research Scheme (DAAD-RGC) (Project No. G-CityU102/20) and the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. CityU 11302121, 11309822). This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (Grant No. 856538, project “3D MAGiC”) and from the Deutsche Forschungsgemeinschaft (project number 392476493). P.-L.H is grateful for funding from the Swire Charitable Trust (University College Oxford), Raymond Liang (Primax Electronics Ltd) and Ministry of Education (Taiwan). This work made use of the resources of the Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons in Forschungszentrum Jülich, the National Centre for Electron Microscopy in Beijing and the TRACE EM center at the City University of Hong Kong. The authors thank Jing Zhu, Peter D. Nellist, Fu-Rong Chen, Jiayi Li, Mathias Rothmann, Zheying Xu, Kyung Song and James P. Buban for valuable contributions to this work.

Research Keywords

1:2 B-site-ordered triple perovskite Sr3Fe2ReO9
aberration-corrected transmission electron microscopy
antiferromagnetic coupling
cation order
density functional theory calculations

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This full text is made available under CC-BY 4.0. https://creativecommons.org/licenses/by/4.0/

RGC Funding Information

RGC-funded

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title = "Atomic-Scale Determination of Cation and Magnetic Order in the Triple Perovskite Sr3Fe2ReO9",

abstract = "Pseudo-cubic (pc) perovskite oxides (ABO3) that can have different magnetic cations with different types and degrees of order at B sites have attracted considerable interest as a result of their tunable magnetic properties. Nanoscale inhomogeneity in cation order on the B sites can lead to different magnetic ground states and electronic band structures in local sample regions. Here, we determine cation order on the atomic scale in a nanosized Sr3Fe2ReO9 phase that has a 1:2 B-site-ordered triple perovskite structure using aberration-corrected analytical transmission electron microscopy (TEM), revealing that the Fe and Re cations form tripled-layered repeats with –[Fe–Fe–Re]n– sequences along [111]pc and an ordering vector of 1/3[111]*. To the best of our knowledge, this 1:2 B-site-ordered triple perovskite Sr3Fe2ReO9 phase has not been reported before. Based on a relaxed theoretical model that is consistent with the experimental images, density functional theory calculations are performed to determine the magnetic ground states and exchange parameters of the newly discovered Sr3Fe2ReO9 phase, in which nearest-neighbour Fe and Re cations are coupled antiferromagnetically. This combination of aberration-corrected analytical TEM and ab initio calculations provides physical insight into cation order and magnetic coupling in perovskite oxides at the atomic level. {\textcopyright} The Author(s) 2022.",

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AU - Ho, Ping-Luen

AU - Huang, Zhihao

AU - Jin, Lei

AU - Choi, Si-Young

AU - Dunin-Borkowski, Rafal E.

AU - Mayer, Joachim

AU - Tsang, Shik Chi Edman

AU - Zhong, Xiaoyan

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AB - Pseudo-cubic (pc) perovskite oxides (ABO3) that can have different magnetic cations with different types and degrees of order at B sites have attracted considerable interest as a result of their tunable magnetic properties. Nanoscale inhomogeneity in cation order on the B sites can lead to different magnetic ground states and electronic band structures in local sample regions. Here, we determine cation order on the atomic scale in a nanosized Sr3Fe2ReO9 phase that has a 1:2 B-site-ordered triple perovskite structure using aberration-corrected analytical transmission electron microscopy (TEM), revealing that the Fe and Re cations form tripled-layered repeats with –[Fe–Fe–Re]n– sequences along [111]pc and an ordering vector of 1/3[111]*. To the best of our knowledge, this 1:2 B-site-ordered triple perovskite Sr3Fe2ReO9 phase has not been reported before. Based on a relaxed theoretical model that is consistent with the experimental images, density functional theory calculations are performed to determine the magnetic ground states and exchange parameters of the newly discovered Sr3Fe2ReO9 phase, in which nearest-neighbour Fe and Re cations are coupled antiferromagnetically. This combination of aberration-corrected analytical TEM and ab initio calculations provides physical insight into cation order and magnetic coupling in perovskite oxides at the atomic level. © The Author(s) 2022.

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Atomic-Scale Determination of Cation and Magnetic Order in the Triple Perovskite Sr₃Fe₂ReO₉

Abstract

Funding

Research Keywords

Publisher's Copyright Statement

RGC Funding Information

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GRF: Atomic Scale Imaging of Magnetic Circular Dichroism in Collinear Antiferromagnets

EU_RGC: Three Dimensional Characterization of Magnetic Solitons by Electron Magnetic Dichroism

Ger/HKJRS: Correlative Measurement of Magnetic Exchange Spring Coupling in Three Dimensions

Cite this

Atomic-Scale Determination of Cation and Magnetic Order in the Triple Perovskite Sr3Fe2ReO9

Abstract

Funding

Research Keywords

Publisher's Copyright Statement

RGC Funding Information

Access Output

Other Access Options

Permanent Link

Other Files and Links

Fingerprint

Projects

GRF: Atomic Scale Imaging of Magnetic Circular Dichroism in Collinear Antiferromagnets

EU_RGC: Three Dimensional Characterization of Magnetic Solitons by Electron Magnetic Dichroism

Ger/HKJRS: Correlative Measurement of Magnetic Exchange Spring Coupling in Three Dimensions

Cite this

Atomic-Scale Determination of Cation and Magnetic Order in the Triple Perovskite Sr₃Fe₂ReO₉