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

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

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.

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10.1021/acs.inorgchem.0c01748

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

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.",

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

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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

N2 - 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.

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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U2 - 10.1021/acs.inorgchem.0c01748

DO - 10.1021/acs.inorgchem.0c01748

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AN - SCOPUS:85091324350

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SP - 13390

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JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 18

ER -

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

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