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論文

Ferroaxial transitions in glaserite-type compounds; Database screening, phonon calculations, and experimental verification

山岸 茂直*; 林田 健志*; 三澤 龍介*; 木村 健太*; 萩原 雅人; 村田 智城*; 廣瀬 左京*; 木村 剛*

Chemistry of Materials, 35(2), p.747 - 754, 2023/01

 被引用回数:2 パーセンタイル:93.17(Chemistry, Physical)

The so-called "ferroaxial transition" characterized by a rotational structural distortion that breaks a mirror symmetry has gained growing interest in terms of a new class of ferroic state in crystalline materials. RbFe(MoO$$_{4}$$)$$_{2}$$ which belongs to glaserite-type compounds, X□;1 Y□;2 [M(TO$$_{4})_{2}$$], is one of the most representative materials showing a ferroaxial transition, i.e., ferroaxial materials. Considering a variety of glaserite-type compounds, we expect that they provide a good arena for ferroaxial materials. In this work, we explored new ferroaxial materials by formula-based screening using regular expression search and symmetry detection algorithm. As a result, we found that a glaserite-type compound, K$$_{2}$$Zr(PO$$_{4}$$)$$_{2}$$, is one of the promising candidates for ferroaxial materials. Experimentally, we demonstrate that K$$_{2}$$Zr(P O$$_{4}$$)$$_{2}$$ shows a ferroaxial transition at about 700 K, which is well explained by ab initio phonon calculations. The ferroaxial nature of K$$_{2}$$Zr(PO$$_{4}$$)$$_{2}$$ is further confirmed by the observation of its domain structures using a linear electrogyration effect, that is, optical rotation in proportion to an applied electric field. Our work provides an effective approach to exploring ferroaxial materials.

論文

Phase transition and domain formation in ferroaxial crystals

林田 健志*; 上村 洋平*; 木村 健太*; 松岡 悟志*; 萩原 雅人; 廣瀬 左京*; 盛岡 仁*; 長谷川 達夫*; 木村 剛*

Physical Review Materials (Internet), 5(12), p.124409_1 - 124409_10, 2021/12

 被引用回数:11 パーセンタイル:79.95(Materials Science, Multidisciplinary)

The ferroaxial order, which is characterized by a rotational structural distortion in a crystal, has been recently proposed as one of ferroic orders. Though the domain formation is a characteristic feature in ferroic materials, there has been little study done concerning that for the ferroaxial order. Here, we investigate ferroaxial domains that are formed through a ferroaxial transition in two representative ferroaxial materials, NiTiO$$_{3}$$ and RbFe(MoO$$_{4}$$)$$_{2}$$. We spatially resolve their domain structures using an optical method based on electric-field- induced optical rotation, that is, electrogyration (EG). In NiTiO$$_{3}$$, multi-domains are constructed when crystals undergo a ferroaxial transition and the domain size depends on the cooling rate around the transition temperature. Furthermore, the ferroaxial domain structure obtained by the EG measurement is well matched with that by scanning X-ray diffraction (XRD). RbFe(MoO$$_{4}$$)$$_{2}$$ also exhibits multi-domain states in which domain patterns are different each time a crystal undergoes a ferroaxial transition. In addition, the temperature dependence of the EG signal well obeys that of the order parameter of a first-order phase transition. These results ensure the effectiveness of the EG effect to elucidate the nature of ferroaxial order.

口頭

Ferroaxial transitions in glaserite-type compounds; Database screening, phonon calculations, and experimental verification

山岸 茂直*; 林田 健志*; 三澤 竜介*; 木村 健太*; 萩原 雅人; 村田 智城*; 廣瀬 左京*; 木村 剛*

no journal, , 

In recent years, ferroaxial order is discussed as a new class of ferroic states [1,2]. This order is a structural order characterized by a partial rotational distortion, which was initially introduced by R.D. Johnson et al. in 2011 [1]. It has been attracting increased interests because of its potential for unconventional physical phenomena and new functionalities such as transverse responses in which input external fields induce output conjugate physical quantities along the perpendicular direction [3]. However, only a few ferroaxial materials have been reported to date, (e.g., NiTiO$$_{3}$$ [4,5] and RbFe(MoO$$_{4}$$)$$_{2}$$ [5]). In this work, we sought new ferroaxial materials by formula-based screening using a regular expression search and the symmetry detection algorithm. As a result, we found that a glaserite- type compound, K$$_{2}$$Zr(PO$$_{4}$$) $$_{2}$$, is one of the promising candidates for ferroaxial materials. Furtheremore, our ab initio phonon calculations suggested that this compound undergoes a ferroaxial transition. Experimentally, by the structural analysis using neutron powder diffraction measurements, we demonstrated that K$$_{2}$$Zr(PO$$_{4}$$) $$_{2}$$ shows a ferroaxial transition at about 700 K. The ferroaxial nature of K$$_{2}$$Zr(PO$$_{4}$$) $$_{2}$$ was further confirmed by the observation of its domain structures using a linear electrogyration effect, that is, optical rotation in proportion to an applied electric field [6]. In this presentation, we will provide details of the database screening and the experiments. [1] R. D. Johnson et al., Phys. Rev. Lett. 107, 137205 (2011). [2] J. Hlinka et al., Phys. Rev. Lett. 116, 17 (2016). [3] S.-W. Cheong et al., npj Quantum Mater. 6, 58 (2021). [4] T. Hayashida et al., Nat. Commun. 11, 4582 (2020). [5] T. Hayashida et al., Phys. Rev. Mater. 5, 124409 (2021). [6] S. Yamagishi et al., Chem. Mater. 35, 747 (2023).

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