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

Research output: Contribution to journalArticle

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.

Original languageEnglish
JournalChemistry of Materials
DOIs
Publication statusPublished - 2019 Jan 1

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Perovskite
Cations
Crystal structure
Phase transitions
Positive ions
Oxides
Negative thermal expansion
perovskite
lithium niobate

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi1- xPbxNiO3. / Sakai, Yuki; Nishikubo, Takumi; Ogata, Takahiro; Ishizaki, Hayato; Imai, Takashi; Mizumaki, Masaichiro; Mizokawa, Takashi; Machida, Akihiko; Watanuki, Tetsu; Yokoyama, Keisuke; Okimoto, Yoichi; Koshihara, Shin Ya; Das, Hena; Azuma, Masaki.

In: Chemistry of Materials, 01.01.2019.

Research output: Contribution to journalArticle

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 Bi1- xPbxNiO3', Chemistry of Materials. https://doi.org/10.1021/acs.chemmater.9b00929
Sakai, Yuki ; Nishikubo, Takumi ; Ogata, Takahiro ; Ishizaki, Hayato ; Imai, Takashi ; Mizumaki, Masaichiro ; Mizokawa, Takashi ; Machida, Akihiko ; Watanuki, Tetsu ; Yokoyama, Keisuke ; Okimoto, Yoichi ; Koshihara, Shin Ya ; Das, Hena ; Azuma, Masaki. / Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi1- xPbxNiO3. In: Chemistry of Materials. 2019.
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