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
{"title":"Pseudosymmetry in Tetragonal Perovskite SrIrO3 Synthesized under High Pressure","authors":"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","doi":"10.1021/acsaelm.4c01214","DOIUrl":null,"url":null,"abstract":"In this study, we report a tetragonal perovskite structure of SrIrO<sub>3</sub> (<i>P</i>4/<i>mmm</i>, <i>a</i> = 3.9362(9) Å, <i>c</i> = 7.880(3) Å) synthesized at 6 GPa and 1400 °C, employing the ambient pressure monoclinic SrIrO<sub>3</sub> with distorted 6<i>H</i> structure as a precursor. The crystal structure of tetragonal SrIrO<sub>3</sub> 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.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":null,"pages":null},"PeriodicalIF":5.4000,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Energy Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1021/acsaelm.4c01214","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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.
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.
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