Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi1- xPbxNiO3

Yuki Sakai; Takumi Nishikubo; Takahiro Ogata; Hayato Ishizaki; Takashi Imai; Masaichiro Mizumaki; Takashi Mizokawa; Akihiko MacHida; Tetsu Watanuki; Keisuke Yokoyama; Yoichi Okimoto; Shin Ya Koshihara; Hena Das; Masaki Azuma

doi:10.1021/acs.chemmater.9b00929

Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi_{1- x}Pb_xNiO₃

Yuki Sakai^*, Takumi Nishikubo, Takahiro Ogata, Hayato Ishizaki, Takashi Imai, Masaichiro Mizumaki, Takashi Mizokawa, Akihiko MacHida, Tetsu Watanuki, Keisuke Yokoyama, Yoichi Okimoto, Shin Ya Koshihara, Hena Das, Masaki Azuma

^*Corresponding author for this work

School of Advanced Science and Engineering

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

18 Citations (Scopus)

Abstract

Perovskite-oxide Bi_1-xPb_xNiO₃ for 0.60 ≤ x ≤ 0.80 was found to show a polar orthorhombic-to-nonpolar orthorhombic phase transition accompanied by negative thermal expansion. Bi_1-xPb_xNiO₃ showed successive crystal structure changes depending on the amount of Pb. As the amount of Pb increased, the crystal structure changed from a triclinic one with Bi³⁺/Bi⁵⁺ long-range ordering to an orthorhombic one with Bi³⁺/Bi⁵⁺ short-range ordering; then, it changed into a polar orthorhombic structure without Bi³⁺/Bi⁵⁺ ordering and finally to a polar LiNbO₃-type one. The key to the inversion symmetry breaking in PbNiO₃, where both 6s² lone-pair and Jahn-Teller active cations are absent, is the high-valency state of Pb⁴⁺. Our results suggest that the polar orthorhombic phase can be realized by using high-valence A-site cations in addition to controlling the tolerance factor.

Original language	English
Pages (from-to)	4748-4758
Number of pages	11
Journal	Chemistry of Materials
Volume	31
Issue number	13
DOIs	https://doi.org/10.1021/acs.chemmater.9b00929
Publication status	Published - 2019 Jul 9

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)
Materials Chemistry

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Sakai, Y., Nishikubo, T., Ogata, T., Ishizaki, H., Imai, T., Mizumaki, M., Mizokawa, T., MacHida, A., Watanuki, T., Yokoyama, K., Okimoto, Y., Koshihara, S. Y., Das, H., & Azuma, M. (2019). Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi_{1- x}Pb_xNiO₃ Chemistry of Materials, 31(13), 4748-4758. https://doi.org/10.1021/acs.chemmater.9b00929

Sakai, Y, Nishikubo, T, Ogata, T, Ishizaki, H, Imai, T, Mizumaki, M, Mizokawa, T, MacHida, A, Watanuki, T, Yokoyama, K, Okimoto, Y, Koshihara, SY, Das, H & Azuma, M 2019, 'Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi_{1- x}Pb_xNiO₃ ', Chemistry of Materials, vol. 31, no. 13, pp. 4748-4758. https://doi.org/10.1021/acs.chemmater.9b00929

@article{6d967cdd5c1f4e67aa1a944bc978b9e9,

title = "Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi1- xPbxNiO3 ",

abstract = "Perovskite-oxide Bi1-xPbxNiO3 for 0.60 ≤ x ≤ 0.80 was found to show a polar orthorhombic-to-nonpolar orthorhombic phase transition accompanied by negative thermal expansion. Bi1-xPbxNiO3 showed successive crystal structure changes depending on the amount of Pb. As the amount of Pb increased, the crystal structure changed from a triclinic one with Bi3+/Bi5+ long-range ordering to an orthorhombic one with Bi3+/Bi5+ short-range ordering; then, it changed into a polar orthorhombic structure without Bi3+/Bi5+ ordering and finally to a polar LiNbO3-type one. The key to the inversion symmetry breaking in PbNiO3, where both 6s2 lone-pair and Jahn-Teller active cations are absent, is the high-valency state of Pb4+. Our results suggest that the polar orthorhombic phase can be realized by using high-valence A-site cations in addition to controlling the tolerance factor.",

author = "Yuki Sakai and Takumi Nishikubo and Takahiro Ogata and Hayato Ishizaki and Takashi Imai and Masaichiro Mizumaki and Takashi Mizokawa and Akihiko MacHida and Tetsu Watanuki and Keisuke Yokoyama and Yoichi Okimoto and Koshihara, {Shin Ya} and Hena Das and Masaki Azuma",

note = "Funding Information: This work was partially supported by the Grant-in-Aid for Scientific Research 16H02393 and 18H05208 from the Japan Society for the Promotion of Science (JSPS) and by the Photon and Quantum Basic Research Coordinated Development Program of the Ministry of Education Culture, Sports, Science and Technology (MEXT), Japan. The synchrotron radiation experiments were performed at SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (2017A1242 2017A1388, 2017B3751, 2017B1721, 2018A1642, 2018A3751, 2018A1667 2018B3751, 2018B1797, 2018B1672, and 2018B1860). Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = jul,

day = "9",

doi = "10.1021/acs.chemmater.9b00929",

language = "English",

volume = "31",

pages = "4748--4758",

journal = "Chemistry of Materials",

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T1 - Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi1- xPbxNiO3

AU - Sakai, Yuki

AU - Nishikubo, Takumi

AU - Ogata, Takahiro

AU - Ishizaki, Hayato

AU - Imai, Takashi

AU - Mizumaki, Masaichiro

AU - Mizokawa, Takashi

AU - MacHida, Akihiko

AU - Watanuki, Tetsu

AU - Yokoyama, Keisuke

AU - Okimoto, Yoichi

AU - Koshihara, Shin Ya

AU - Das, Hena

AU - Azuma, Masaki

N1 - Funding Information: This work was partially supported by the Grant-in-Aid for Scientific Research 16H02393 and 18H05208 from the Japan Society for the Promotion of Science (JSPS) and by the Photon and Quantum Basic Research Coordinated Development Program of the Ministry of Education Culture, Sports, Science and Technology (MEXT), Japan. The synchrotron radiation experiments were performed at SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (2017A1242 2017A1388, 2017B3751, 2017B1721, 2018A1642, 2018A3751, 2018A1667 2018B3751, 2018B1797, 2018B1672, and 2018B1860). Publisher Copyright: © 2019 American Chemical Society.

PY - 2019/7/9

Y1 - 2019/7/9

N2 - Perovskite-oxide Bi1-xPbxNiO3 for 0.60 ≤ x ≤ 0.80 was found to show a polar orthorhombic-to-nonpolar orthorhombic phase transition accompanied by negative thermal expansion. Bi1-xPbxNiO3 showed successive crystal structure changes depending on the amount of Pb. As the amount of Pb increased, the crystal structure changed from a triclinic one with Bi3+/Bi5+ long-range ordering to an orthorhombic one with Bi3+/Bi5+ short-range ordering; then, it changed into a polar orthorhombic structure without Bi3+/Bi5+ ordering and finally to a polar LiNbO3-type one. The key to the inversion symmetry breaking in PbNiO3, where both 6s2 lone-pair and Jahn-Teller active cations are absent, is the high-valency state of Pb4+. Our results suggest that the polar orthorhombic phase can be realized by using high-valence A-site cations in addition to controlling the tolerance factor.

AB - Perovskite-oxide Bi1-xPbxNiO3 for 0.60 ≤ x ≤ 0.80 was found to show a polar orthorhombic-to-nonpolar orthorhombic phase transition accompanied by negative thermal expansion. Bi1-xPbxNiO3 showed successive crystal structure changes depending on the amount of Pb. As the amount of Pb increased, the crystal structure changed from a triclinic one with Bi3+/Bi5+ long-range ordering to an orthorhombic one with Bi3+/Bi5+ short-range ordering; then, it changed into a polar orthorhombic structure without Bi3+/Bi5+ ordering and finally to a polar LiNbO3-type one. The key to the inversion symmetry breaking in PbNiO3, where both 6s2 lone-pair and Jahn-Teller active cations are absent, is the high-valency state of Pb4+. Our results suggest that the polar orthorhombic phase can be realized by using high-valence A-site cations in addition to controlling the tolerance factor.

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U2 - 10.1021/acs.chemmater.9b00929

DO - 10.1021/acs.chemmater.9b00929

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SN - 0897-4756

VL - 31

SP - 4748

EP - 4758

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 13

ER -

Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi_{1- x}Pb_xNiO₃

Abstract

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