Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO3

Xubin Ye; Jianfa Zhao; Hena Das; Denis Sheptyakov; Junye Yang; Yuki Sakai; Hajime Hojo; Zhehong Liu; Long Zhou; Lipeng Cao; Takumi Nishikubo; Shogo Wakazaki; Cheng Dong; Xiao Wang; Zhiwei Hu; Hong Ji Lin; Chien Te Chen; Christoph Sahle; Anna Efiminko; Huibo Cao; Stuart Calder; Ko Mibu; Michel Kenzelmann; Liu Hao Tjeng; Runze Yu; Masaki Azuma; Changqing Jin; Youwen Long

doi:10.1038/s41467-021-22064-9

Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO₃

Xubin Ye, Jianfa Zhao, Hena Das, Denis Sheptyakov, Junye Yang, Yuki Sakai, Hajime Hojo, Zhehong Liu, Long Zhou, Lipeng Cao, Takumi Nishikubo, Shogo Wakazaki, Cheng Dong, Xiao Wang, Zhiwei Hu, Hong Ji Lin, Chien Te Chen, Christoph Sahle, Anna Efiminko, Huibo CaoStuart Calder, Ko Mibu, Michel Kenzelmann, Liu Hao Tjeng, Runze Yu, Masaki Azuma, Changqing Jin, Youwen Long

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Abstract

PbMO₃ (M = 3d transition metals) family shows systematic variations in charge distribution and intriguing physical properties due to its delicate energy balance between Pb 6s and transition metal 3d orbitals. However, the detailed structure and physical properties of PbFeO₃ remain unclear. Herein, we reveal that PbFeO₃ crystallizes into an unusual 2a_p × 6a_p × 2a_p orthorhombic perovskite super unit cell with space group Cmcm. The distinctive crystal construction and valence distribution of Pb²⁺_0.5Pb⁴⁺_0.5FeO₃ lead to a long range charge ordering of the -A-B-B- type of the layers with two different oxidation states of Pb (Pb²⁺ and Pb⁴⁺) in them. A weak ferromagnetic transition with canted antiferromagnetic spins along the a-axis is found to occur at 600 K. In addition, decreasing the temperature causes a spin reorientation transition towards a collinear antiferromagnetic structure with spin moments along the b-axis near 418 K. Our theoretical investigations reveal that the peculiar charge ordering of Pb generates two Fe³⁺ magnetic sublattices with competing anisotropic energies, giving rise to the spin reorientation at such a high critical temperature.

Original language	English
Article number	1917
Journal	Nature Communications
Volume	12
Issue number	1
DOIs	https://doi.org/10.1038/s41467-021-22064-9
State	Published - Dec 1 2021

Funding

Funders	Funder number
Japan Society for the Promotion of Science	20K21092
Japan Society for the Promotion of Science

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Ye, X., Zhao, J., Das, H., Sheptyakov, D., Yang, J., Sakai, Y., Hojo, H., Liu, Z., Zhou, L., Cao, L., Nishikubo, T., Wakazaki, S., Dong, C., Wang, X., Hu, Z., Lin, H. J., Chen, C. T., Sahle, C., Efiminko, A., ... Long, Y. (2021). Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO₃. Nature Communications, 12(1), Article 1917. https://doi.org/10.1038/s41467-021-22064-9

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title = "Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO3",

abstract = "PbMO3 (M = 3d transition metals) family shows systematic variations in charge distribution and intriguing physical properties due to its delicate energy balance between Pb 6s and transition metal 3d orbitals. However, the detailed structure and physical properties of PbFeO3 remain unclear. Herein, we reveal that PbFeO3 crystallizes into an unusual 2ap × 6ap × 2ap orthorhombic perovskite super unit cell with space group Cmcm. The distinctive crystal construction and valence distribution of Pb2+0.5Pb4+0.5FeO3 lead to a long range charge ordering of the -A-B-B- type of the layers with two different oxidation states of Pb (Pb2+ and Pb4+) in them. A weak ferromagnetic transition with canted antiferromagnetic spins along the a-axis is found to occur at 600 K. In addition, decreasing the temperature causes a spin reorientation transition towards a collinear antiferromagnetic structure with spin moments along the b-axis near 418 K. Our theoretical investigations reveal that the peculiar charge ordering of Pb generates two Fe3+ magnetic sublattices with competing anisotropic energies, giving rise to the spin reorientation at such a high critical temperature.",

author = "Xubin Ye and Jianfa Zhao and Hena Das and Denis Sheptyakov and Junye Yang and Yuki Sakai and Hajime Hojo and Zhehong Liu and Long Zhou and Lipeng Cao and Takumi Nishikubo and Shogo Wakazaki and Cheng Dong and Xiao Wang and Zhiwei Hu and Lin, {Hong Ji} and Chen, {Chien Te} and Christoph Sahle and Anna Efiminko and Huibo Cao and Stuart Calder and Ko Mibu and Michel Kenzelmann and Tjeng, {Liu Hao} and Runze Yu and Masaki Azuma and Changqing Jin and Youwen Long",

note = "Publisher Copyright: {\textcopyright} 2021, The Author(s).",

year = "2021",

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day = "1",

doi = "10.1038/s41467-021-22064-9",

language = "English",

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Ye, X, Zhao, J, Das, H, Sheptyakov, D, Yang, J, Sakai, Y, Hojo, H, Liu, Z, Zhou, L, Cao, L, Nishikubo, T, Wakazaki, S, Dong, C, Wang, X, Hu, Z, Lin, HJ, Chen, CT, Sahle, C, Efiminko, A, Cao, H , Calder, S, Mibu, K, Kenzelmann, M, Tjeng, LH, Yu, R, Azuma, M, Jin, C & Long, Y 2021, 'Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO₃', Nature Communications, vol. 12, no. 1, 1917. https://doi.org/10.1038/s41467-021-22064-9

TY - JOUR

T1 - Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO3

AU - Ye, Xubin

AU - Zhao, Jianfa

AU - Das, Hena

AU - Sheptyakov, Denis

AU - Yang, Junye

AU - Sakai, Yuki

AU - Hojo, Hajime

AU - Liu, Zhehong

AU - Zhou, Long

AU - Cao, Lipeng

AU - Nishikubo, Takumi

AU - Wakazaki, Shogo

AU - Dong, Cheng

AU - Wang, Xiao

AU - Hu, Zhiwei

AU - Lin, Hong Ji

AU - Chen, Chien Te

AU - Sahle, Christoph

AU - Efiminko, Anna

AU - Cao, Huibo

AU - Calder, Stuart

AU - Mibu, Ko

AU - Kenzelmann, Michel

AU - Tjeng, Liu Hao

AU - Yu, Runze

AU - Azuma, Masaki

AU - Jin, Changqing

AU - Long, Youwen

PY - 2021/12/1

Y1 - 2021/12/1

N2 - PbMO3 (M = 3d transition metals) family shows systematic variations in charge distribution and intriguing physical properties due to its delicate energy balance between Pb 6s and transition metal 3d orbitals. However, the detailed structure and physical properties of PbFeO3 remain unclear. Herein, we reveal that PbFeO3 crystallizes into an unusual 2ap × 6ap × 2ap orthorhombic perovskite super unit cell with space group Cmcm. The distinctive crystal construction and valence distribution of Pb2+0.5Pb4+0.5FeO3 lead to a long range charge ordering of the -A-B-B- type of the layers with two different oxidation states of Pb (Pb2+ and Pb4+) in them. A weak ferromagnetic transition with canted antiferromagnetic spins along the a-axis is found to occur at 600 K. In addition, decreasing the temperature causes a spin reorientation transition towards a collinear antiferromagnetic structure with spin moments along the b-axis near 418 K. Our theoretical investigations reveal that the peculiar charge ordering of Pb generates two Fe3+ magnetic sublattices with competing anisotropic energies, giving rise to the spin reorientation at such a high critical temperature.

AB - PbMO3 (M = 3d transition metals) family shows systematic variations in charge distribution and intriguing physical properties due to its delicate energy balance between Pb 6s and transition metal 3d orbitals. However, the detailed structure and physical properties of PbFeO3 remain unclear. Herein, we reveal that PbFeO3 crystallizes into an unusual 2ap × 6ap × 2ap orthorhombic perovskite super unit cell with space group Cmcm. The distinctive crystal construction and valence distribution of Pb2+0.5Pb4+0.5FeO3 lead to a long range charge ordering of the -A-B-B- type of the layers with two different oxidation states of Pb (Pb2+ and Pb4+) in them. A weak ferromagnetic transition with canted antiferromagnetic spins along the a-axis is found to occur at 600 K. In addition, decreasing the temperature causes a spin reorientation transition towards a collinear antiferromagnetic structure with spin moments along the b-axis near 418 K. Our theoretical investigations reveal that the peculiar charge ordering of Pb generates two Fe3+ magnetic sublattices with competing anisotropic energies, giving rise to the spin reorientation at such a high critical temperature.

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U2 - 10.1038/s41467-021-22064-9

DO - 10.1038/s41467-021-22064-9

M3 - Article

C2 - 33772004

AN - SCOPUS:85103547205

SN - 2041-1723

VL - 12

JO - Nature Communications

JF - Nature Communications

IS - 1

M1 - 1917

ER -

Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO₃

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