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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:5 パーセンタイル:86.76(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) which belongs to glaserite-type compounds, X□;1 Y□;2 [M(TO], 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, KZr(PO), is one of the promising candidates for ferroaxial materials. Experimentally, we demonstrate that KZr(P O) shows a ferroaxial transition at about 700 K, which is well explained by ab initio phonon calculations. The ferroaxial nature of KZr(PO) 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.
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 [4,5] and RbFe(MoO) [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, KZr(PO) , 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 KZr(PO) shows a ferroaxial transition at about 700 K. The ferroaxial nature of KZr(PO) 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).