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Origin of Unexpected Ir3+ in a Superconducting Candidate Sr2IrO4 System Analyzed by Photoelectron Holography
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-06-02 , DOI: 10.1021/acs.inorgchem.2c03788 Rie Horie 1 , Tomohiro Matsushita 2 , Sota Kawamura 2 , Tsubasa Hase 3 , Kazumasa Horigane 1 , Hiroki Momono 4 , Soichiro Takeuchi 2 , Masaki Tanaka 2 , Hiroto Tomita 2 , Yusuke Hashimoto 2 , Kaya Kobayashi 1, 5 , Yuichi Haruyama 6 , Hiroshi Daimon 7 , Yoshitada Morikawa 3 , Munetaka Taguchi 8 , Jun Akimitsu 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-06-02 , DOI: 10.1021/acs.inorgchem.2c03788 Rie Horie 1 , Tomohiro Matsushita 2 , Sota Kawamura 2 , Tsubasa Hase 3 , Kazumasa Horigane 1 , Hiroki Momono 4 , Soichiro Takeuchi 2 , Masaki Tanaka 2 , Hiroto Tomita 2 , Yusuke Hashimoto 2 , Kaya Kobayashi 1, 5 , Yuichi Haruyama 6 , Hiroshi Daimon 7 , Yoshitada Morikawa 3 , Munetaka Taguchi 8 , Jun Akimitsu 1
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The reason for the absence of superconductivity in Sr2IrO4 was estimated by photoelectron spectra and photoelectron holograms. The analysis of the La photoelectron hologram concluded that La atoms are substituted to Sr sites. Two O 1s peaks were observed and were identified as the oxygens in the IrO2 and SrO planes by photoelectron holography and density functional theory (DFT) calculations. In the Ir 4f spectrum of Sr2IrO4, an unexpected Ir3+ peak was observed as much as 50% of all of the Ir. The photoelectron hologram of Ir3+ showed a displacement of about 0.15 Å. This displacement is thought to be due to the oxygen vacancies in the IrO2 plane. These oxygen vacancies and the associated local displacement of the atoms might inhibit superconductivity in spite of sufficient electron doping.
中文翻译：
通过光电子全息术分析超导候选 Sr2IrO4 系统中意外 Ir3+ 的起源
通过光电子能谱和光电子全息图推测了Sr 2 IrO 4不具有超导性的原因。La光电子全息图的分析得出结论，La原子被Sr位点取代。观察到两个O 1s 峰，并通过光电子全息术和密度泛函理论（DFT）计算将其鉴定为IrO 2和SrO平面中的氧。在Sr 2 IrO 4的Ir 4f 光谱中，观察到了占全部Ir的50％的意外的Ir 3+峰。Ir 3+的光电子全息图显示出约0.15 Å的位移。这种位移被认为是由于 IrO 2中的氧空位造成的。飞机。尽管有足够的电子掺杂，但这些氧空位和相关的原子局部位移可能会抑制超导性。
更新日期：2023-06-02
中文翻译：
通过光电子全息术分析超导候选 Sr2IrO4 系统中意外 Ir3+ 的起源
通过光电子能谱和光电子全息图推测了Sr 2 IrO 4不具有超导性的原因。La光电子全息图的分析得出结论，La原子被Sr位点取代。观察到两个O 1s 峰，并通过光电子全息术和密度泛函理论（DFT）计算将其鉴定为IrO 2和SrO平面中的氧。在Sr 2 IrO 4的Ir 4f 光谱中，观察到了占全部Ir的50％的意外的Ir 3+峰。Ir 3+的光电子全息图显示出约0.15 Å的位移。这种位移被认为是由于 IrO 2中的氧空位造成的。飞机。尽管有足够的电子掺杂，但这些氧空位和相关的原子局部位移可能会抑制超导性。
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