Enhanced Negative Thermal Expansion Induced by Simultaneous Charge Transfer and Polar-Nonpolar Transitions

Takumi Nishikubo; Yuki Sakai; Kengo Oka; Tetsu Watanuki; Akihiko MacHida; Masaichiro Mizumaki; Koki Maebayashi; Takashi Imai; Takahiro Ogata; Keisuke Yokoyama; Yoichi Okimoto; Shin Ya Koshihara; Hajime Hojo; Takashi Mizokawa; Masaki Azuma

doi:10.1021/jacs.9b10336

Enhanced Negative Thermal Expansion Induced by Simultaneous Charge Transfer and Polar-Nonpolar Transitions

Takumi Nishikubo^*, Yuki Sakai, Kengo Oka, Tetsu Watanuki, Akihiko MacHida, Masaichiro Mizumaki, Koki Maebayashi, Takashi Imai, Takahiro Ogata, Keisuke Yokoyama, Yoichi Okimoto, Shin Ya Koshihara, Hajime Hojo, Takashi Mizokawa, Masaki Azuma

^*Corresponding author for this work

School of Advanced Science and Engineering

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

24 Citations (Scopus)

Abstract

Negative thermal expansion (NTE) induced by simultaneous mechanisms, that is, charge transfer and polar-nonpolar transitions, was observed for the first time in BiNi_1-xFe_xO₃ (0.25 ≤ x ≤ 0.5). The lowerature phase was found to have a polar structure (space group of R3c) with a Bi³⁺ _0.5(1+x)Bi⁵⁺ _0.5(1-x)Ni²⁺ _1-xFe³⁺ _xO₃ charge distribution and short-range ordering of Bi³⁺ and Bi⁵⁺. The volume reduction upon heating that was induced by charge transfer between Bi⁵⁺ and Ni²⁺ decreased with increasing x because of the reduction in the amount of Ni²⁺. Simultaneous polar-nonpolar transition also contributed to NTE, and a composition-independent enhanced volume reduction of â¼2% was observed.

Original language	English
Pages (from-to)	19397-19403
Number of pages	7
Journal	Journal of the American Chemical Society
Volume	141
Issue number	49
DOIs	https://doi.org/10.1021/jacs.9b10336
Publication status	Published - 2019 Dec 11

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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Nishikubo, T., Sakai, Y., Oka, K., Watanuki, T., MacHida, A., Mizumaki, M., Maebayashi, K., Imai, T., Ogata, T., Yokoyama, K., Okimoto, Y., Koshihara, S. Y., Hojo, H., Mizokawa, T., & Azuma, M. (2019). Enhanced Negative Thermal Expansion Induced by Simultaneous Charge Transfer and Polar-Nonpolar Transitions. Journal of the American Chemical Society, 141(49), 19397-19403. https://doi.org/10.1021/jacs.9b10336

Nishikubo, T, Sakai, Y, Oka, K, Watanuki, T, MacHida, A, Mizumaki, M, Maebayashi, K, Imai, T, Ogata, T, Yokoyama, K, Okimoto, Y, Koshihara, SY, Hojo, H, Mizokawa, T & Azuma, M 2019, 'Enhanced Negative Thermal Expansion Induced by Simultaneous Charge Transfer and Polar-Nonpolar Transitions', Journal of the American Chemical Society, vol. 141, no. 49, pp. 19397-19403. https://doi.org/10.1021/jacs.9b10336

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title = "Enhanced Negative Thermal Expansion Induced by Simultaneous Charge Transfer and Polar-Nonpolar Transitions",

abstract = "Negative thermal expansion (NTE) induced by simultaneous mechanisms, that is, charge transfer and polar-nonpolar transitions, was observed for the first time in BiNi1-xFexO3 (0.25 ≤ x ≤ 0.5). The lowerature phase was found to have a polar structure (space group of R3c) with a Bi3+ 0.5(1+x)Bi5+ 0.5(1-x)Ni2+ 1-xFe3+ xO3 charge distribution and short-range ordering of Bi3+ and Bi5+. The volume reduction upon heating that was induced by charge transfer between Bi5+ and Ni2+ decreased with increasing x because of the reduction in the amount of Ni2+. Simultaneous polar-nonpolar transition also contributed to NTE, and a composition-independent enhanced volume reduction of {\^a}¼2% was observed.",

author = "Takumi Nishikubo and Yuki Sakai and Kengo Oka and Tetsu Watanuki and Akihiko MacHida and Masaichiro Mizumaki and Koki Maebayashi and Takashi Imai and Takahiro Ogata and Keisuke Yokoyama and Yoichi Okimoto and Koshihara, {Shin Ya} and Hajime Hojo and Takashi Mizokawa and Masaki Azuma",

note = "Funding Information: This work was partially supported by JSPS KAKENHI Grant Numbers, JP16H02393, JP18H05208, and JP19H05625, 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 Japan Synchrotron Radiation Research Institute (JASRI) (proposal nos. 2017B3751, 2018A1636, 2018A1667, 2018B3751, 2017B1721, 2018B1672 and 2019A1688). Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

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AU - Nishikubo, Takumi

AU - Sakai, Yuki

AU - Oka, Kengo

AU - Watanuki, Tetsu

AU - MacHida, Akihiko

AU - Mizumaki, Masaichiro

AU - Maebayashi, Koki

AU - Imai, Takashi

AU - Ogata, Takahiro

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AU - Okimoto, Yoichi

AU - Koshihara, Shin Ya

AU - Hojo, Hajime

AU - Mizokawa, Takashi

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N1 - Funding Information: This work was partially supported by JSPS KAKENHI Grant Numbers, JP16H02393, JP18H05208, and JP19H05625, 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 Japan Synchrotron Radiation Research Institute (JASRI) (proposal nos. 2017B3751, 2018A1636, 2018A1667, 2018B3751, 2017B1721, 2018B1672 and 2019A1688). Publisher Copyright: © 2019 American Chemical Society.

PY - 2019/12/11

Y1 - 2019/12/11

N2 - Negative thermal expansion (NTE) induced by simultaneous mechanisms, that is, charge transfer and polar-nonpolar transitions, was observed for the first time in BiNi1-xFexO3 (0.25 ≤ x ≤ 0.5). The lowerature phase was found to have a polar structure (space group of R3c) with a Bi3+ 0.5(1+x)Bi5+ 0.5(1-x)Ni2+ 1-xFe3+ xO3 charge distribution and short-range ordering of Bi3+ and Bi5+. The volume reduction upon heating that was induced by charge transfer between Bi5+ and Ni2+ decreased with increasing x because of the reduction in the amount of Ni2+. Simultaneous polar-nonpolar transition also contributed to NTE, and a composition-independent enhanced volume reduction of â¼2% was observed.

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Enhanced Negative Thermal Expansion Induced by Simultaneous Charge Transfer and Polar-Nonpolar Transitions

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