Local and electronic structures of NaNbO3, AgNbO3, and KNbO3

被引：0

作者：

Yoneda, Yasuhiro ^{[1
]}

Kobayashi, Tohru ^{[1
]}

Tsuji, Takuya ^{[1
]}

Matsumura, Daiju ^{[1
]}

Saitoh, Yuji ^{[1
]}

Noguchi, Yuji ^{[2
]}

机构：

[1] Japan Atom Energy Agcy JAEA, Mat Sci Res Ctr, Sayo, Hyogo 6795148, Japan

[2] Kumamoto Univ, Res & Educ Inst Semicond & Informat, Chuo Ku, Kurokami, Kumamoto 8608555, Japan

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS | 2024年 / 63卷 / 09期

关键词：

NaNbO3; AgNbO3; KNbO3; local structure; electronic structure; pair distribution function; X-ray absorption spectroscopy; X-RAY-DIFFRACTION; 3-DIMENSIONAL VISUALIZATION; POTASSIUM NIOBATE; PHASE-TRANSITIONS; 1ST PRINCIPLES; PHOTOELECTRON; REFINEMENT; EMISSION; BEAMLINE; CRYSTAL;

D O I：

10.35848/1347-4065/ad72fc

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

NaNbO3, AgNbO3, and KNbO3 with ABO(3)-type perovskite systems are known to possess good ferroelectric properties. In their traditional average structure, a change in the A-site ion size changes the involved tolerance factor. Herein, we directly determined the rattling space of each atom through local structure analysis. By combining a pair distribution function and an extended X-ray absorption fine structure, this analysis revealed that the bonding sites with large fluctuations varied with varying ion sizes. Experimental evidence including soft X-ray absorption spectroscopy, indicates that the A-site ions are hybridized with oxygen.

引用

页数：10

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