Pseudosymmetry in Tetragonal Perovskite SrIrO3 Synthesized under High Pressure

IF 5.4 3区材料科学 Q2 CHEMISTRY, PHYSICAL

ACS Applied Energy Materials Pub Date : 2024-08-30 DOI:10.1021/acsaelm.4c01214

Haozhe Wang, Alberto de la Torre, Joseph T. Race, Qiaochu Wang, Jacob P. C. Ruff, Patrick M. Woodward, Kemp W. Plumb, David Walker, Weiwei Xie

引用次数: 0

Abstract

In this study, we report a tetragonal perovskite structure of SrIrO₃ (P4/mmm, a = 3.9362(9) Å, c = 7.880(3) Å) synthesized at 6 GPa and 1400 °C, employing the ambient pressure monoclinic SrIrO₃ with distorted 6H structure as a precursor. The crystal structure of tetragonal SrIrO₃ was evaluated on the basis of single-crystal and powder X-ray diffraction. A cubic indexing was observed, which was attributed to overlooked superlattice reflections. Weak fractional peaks in the H and K dimensions suggest possible structure modulation by oxygen defects. Magnetization study reveals weak paramagnetic behavior down to 2 K, indicative of the interplay between spin–orbit coupling, electron correlations, and the crystal electric field. Additionally, measurements of electrical resistivity display metallic behavior with an upturn at about 54 K, which is ascribed to weak electron localization and possible structural defects.

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高压合成的四方包晶 SrIrO3 中的假对称性

本研究以具有扭曲 6H 结构的常压单斜 SrIrO3 为前驱体，报道了在 6 GPa 和 1400 ℃ 下合成的 SrIrO3（P4/mmm，a = 3.9362(9) Å，c = 7.880(3) Å）的四方包晶结构。根据单晶和粉末 X 射线衍射评估了四方 SrIrO3 的晶体结构。观察到了立方分度，这归因于俯视超晶格反射。H 维和 K 维的弱分数峰表明结构可能受到氧缺陷的调节。磁化研究揭示了低至 2 K 的弱顺磁行为，表明自旋轨道耦合、电子关联和晶体电场之间存在相互作用。此外，电阻率测量结果表明，在大约 54 K 时，电阻率会出现上升，这是由于弱电子局域化和可能的结构缺陷造成的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

ACS Applied Energy Materials Materials Science-Materials Chemistry

CiteScore

10.30

自引率

6.20%

发文量

1368

期刊介绍： ACS Applied Energy Materials is an interdisciplinary journal publishing original research covering all aspects of materials, engineering, chemistry, physics and biology relevant to energy conversion and storage. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials, engineering, physics, bioscience, and chemistry into important energy applications.