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 and Youwen Long ()
Additional contact information
Xubin Ye: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Jianfa Zhao: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Hena Das: Laboratory for Materials and Structures, Tokyo Institute of Technology
Denis Sheptyakov: Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut
Junye Yang: Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut
Yuki Sakai: Laboratory for Materials and Structures, Tokyo Institute of Technology
Hajime Hojo: Kyushu University
Zhehong Liu: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Long Zhou: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Lipeng Cao: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Takumi Nishikubo: Laboratory for Materials and Structures, Tokyo Institute of Technology
Shogo Wakazaki: Laboratory for Materials and Structures, Tokyo Institute of Technology
Cheng Dong: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Xiao Wang: Max-Planck Institute for Chemical Physics of Solids
Zhiwei Hu: Max-Planck Institute for Chemical Physics of Solids
Hong-Ji Lin: National Synchrotron Radiation Research Center
Chien-Te Chen: National Synchrotron Radiation Research Center
Christoph Sahle: European Synchrotron Radiation Facility
Anna Efiminko: European Synchrotron Radiation Facility
Huibo Cao: Neutron Scattering Division, Oak Ridge National Laboratory
Stuart Calder: Neutron Scattering Division, Oak Ridge National Laboratory
Ko Mibu: Graduate School of Engineering, Nagoya Institute of Technology
Michel Kenzelmann: Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut
Liu Hao Tjeng: Max-Planck Institute for Chemical Physics of Solids
Runze Yu: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Masaki Azuma: Laboratory for Materials and Structures, Tokyo Institute of Technology
Changqing Jin: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
Youwen Long: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences

Nature Communications, 2021, vol. 12, issue 1, 1-11

Abstract: 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.

Date: 2021
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DOI: 10.1038/s41467-021-22064-9

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