Stabilized Charge, Spin, and Orbital Ordering by the 6s2Lone Pair in Bi0.5Pb0.5MnO3

Shogo Wakazaki; Takumi Nishikubo; Yuki Sakai; Kei Shigematsu; Hena Das; Depei Zhang; Qiang Zhang; Masaaki Matsuda; Masaki Azuma

doi:10.1021/acs.inorgchem.0c01748

Stabilized Charge, Spin, and Orbital Ordering by the 6s²Lone Pair in Bi_0.5Pb_0.5MnO₃

Shogo Wakazaki, Takumi Nishikubo, Yuki Sakai, Kei Shigematsu, Hena Das, Depei Zhang, Qiang Zhang, Masaaki Matsuda, Masaki Azuma

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Abstract

Bi and Pb ions with charge degree of freedom depending on 6s2 and 6s0 electronic configurations were combined with the Mn ion in a perovskite oxide. Comprehensive theoretical and experimental investigations revealed the Bi3+0.5Pb2+0.5Mn3+0.5Mn4+0.5O3 charge ordered state with CE-type spin and dz2 orbital orderings as observed in La0.5Ca0.5MnO3, Nd0.5Sr0.5MnO3, and Bi0.5Sr0.5MnO3. The charge and orbital orderings were preserved above 500 K owing to the stereochemical activity of Bi3+ and Pb2+ ions which stabilized the structural distortion.

Original language	English
Pages (from-to)	13390-13397
Number of pages	8
Journal	Inorganic Chemistry
Volume	59
Issue number	18
DOIs	https://doi.org/10.1021/acs.inorgchem.0c01748
State	Published - Sep 21 2020

Funding

This work was partially supported by Grants-in-Aid for Scientific Research 19H05625 and 19K05246, from the Japan Society for the Promotion of Science (JSPS), and by the Kanagawa Institute of Industrial Science and Technology (KISTEC). The synchrotron-radiation experiments were performed at SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2018B1860). This research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.

Funders	Funder number
Kanagawa Institute of Industrial Science and Technology
Japan Society for the Promotion of Science	19K05246
Japan Society for the Promotion of Science

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10.1021/acs.inorgchem.0c01748

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abstract = "Bi and Pb ions with charge degree of freedom depending on 6s2 and 6s0 electronic configurations were combined with the Mn ion in a perovskite oxide. Comprehensive theoretical and experimental investigations revealed the Bi3+0.5Pb2+0.5Mn3+0.5Mn4+0.5O3 charge ordered state with CE-type spin and dz2 orbital orderings as observed in La0.5Ca0.5MnO3, Nd0.5Sr0.5MnO3, and Bi0.5Sr0.5MnO3. The charge and orbital orderings were preserved above 500 K owing to the stereochemical activity of Bi3+ and Pb2+ ions which stabilized the structural distortion.",

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T1 - Stabilized Charge, Spin, and Orbital Ordering by the 6s2Lone Pair in Bi0.5Pb0.5MnO3

AU - Wakazaki, Shogo

AU - Nishikubo, Takumi

AU - Sakai, Yuki

AU - Shigematsu, Kei

AU - Das, Hena

AU - Zhang, Depei

AU - Zhang, Qiang

AU - Matsuda, Masaaki

AU - Azuma, Masaki

PY - 2020/9/21

Y1 - 2020/9/21

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AB - Bi and Pb ions with charge degree of freedom depending on 6s2 and 6s0 electronic configurations were combined with the Mn ion in a perovskite oxide. Comprehensive theoretical and experimental investigations revealed the Bi3+0.5Pb2+0.5Mn3+0.5Mn4+0.5O3 charge ordered state with CE-type spin and dz2 orbital orderings as observed in La0.5Ca0.5MnO3, Nd0.5Sr0.5MnO3, and Bi0.5Sr0.5MnO3. The charge and orbital orderings were preserved above 500 K owing to the stereochemical activity of Bi3+ and Pb2+ ions which stabilized the structural distortion.

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Stabilized Charge, Spin, and Orbital Ordering by the 6s²Lone Pair in Bi_0.5Pb_0.5MnO₃

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