Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3
Abstract An anomalously high valence state sometimes shows up in transition‐metal oxide compounds. In such systems, holes tend to occupy mainly the ligand p orbitals, giving rise to interesting physical properties such as superconductivity in cuprates and rich magnetic phases in ferrates. However, n...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2023-10-01
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| Series: | Advanced Science |
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| Online Access: | https://doi.org/10.1002/advs.202302839 |
| _version_ | 1797657790150344704 |
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| author | Shunsuke Kitou Masaki Gen Yuiga Nakamura Kunihisa Sugimoto Yusuke Tokunaga Shintaro Ishiwata and Taka‐hisa Arima |
| author_facet | Shunsuke Kitou Masaki Gen Yuiga Nakamura Kunihisa Sugimoto Yusuke Tokunaga Shintaro Ishiwata and Taka‐hisa Arima |
| author_sort | Shunsuke Kitou |
| collection | DOAJ |
| description | Abstract An anomalously high valence state sometimes shows up in transition‐metal oxide compounds. In such systems, holes tend to occupy mainly the ligand p orbitals, giving rise to interesting physical properties such as superconductivity in cuprates and rich magnetic phases in ferrates. However, no one has ever observed the distribution of ligand holes in real space. Here, a successful observation of the spatial distribution of valence electrons in cubic perovskite SrFeO3 by high‐energy X‐ray diffraction experiments and precise electron density analysis using a core differential Fourier synthesis method is reported. A real‐space picture of ligand holes formed by the orbital hybridization of Fe 3d and O 2p is revealed. The anomalous valence state in Fe is attributed to the considerable contribution of the ligand hole, which is related to the metallic nature and the absence of Jahn‐Teller distortions in this system. |
| first_indexed | 2024-03-11T17:50:46Z |
| format | Article |
| id | doaj.art-3245995aebca4b0da2cb747f5bea2a76 |
| institution | Directory Open Access Journal |
| issn | 2198-3844 |
| language | English |
| last_indexed | 2024-03-11T17:50:46Z |
| publishDate | 2023-10-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advanced Science |
| spelling | doaj.art-3245995aebca4b0da2cb747f5bea2a762023-10-18T06:07:54ZengWileyAdvanced Science2198-38442023-10-011029n/an/a10.1002/advs.202302839Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3Shunsuke Kitou0Masaki Gen1Yuiga Nakamura2Kunihisa Sugimoto3Yusuke Tokunaga4Shintaro Ishiwata5and Taka‐hisa Arima6Department of Advanced Materials Science The University of Tokyo Kashiwa 277‐8561 JapanDepartment of Advanced Materials Science The University of Tokyo Kashiwa 277‐8561 JapanJapan Synchrotron Radiation Research Institute (JASRI) SPring‐8 Hyogo 679‐5198 JapanDepartment of Chemistry Kindai University Osaka 577‐8502 JapanDepartment of Advanced Materials Science The University of Tokyo Kashiwa 277‐8561 JapanDivision of Materials Physics Graduate School of Engineering Science Osaka University Toyonaka Osaka 560‐8531 JapanDepartment of Advanced Materials Science The University of Tokyo Kashiwa 277‐8561 JapanAbstract An anomalously high valence state sometimes shows up in transition‐metal oxide compounds. In such systems, holes tend to occupy mainly the ligand p orbitals, giving rise to interesting physical properties such as superconductivity in cuprates and rich magnetic phases in ferrates. However, no one has ever observed the distribution of ligand holes in real space. Here, a successful observation of the spatial distribution of valence electrons in cubic perovskite SrFeO3 by high‐energy X‐ray diffraction experiments and precise electron density analysis using a core differential Fourier synthesis method is reported. A real‐space picture of ligand holes formed by the orbital hybridization of Fe 3d and O 2p is revealed. The anomalous valence state in Fe is attributed to the considerable contribution of the ligand hole, which is related to the metallic nature and the absence of Jahn‐Teller distortions in this system.https://doi.org/10.1002/advs.202302839electron orbitalligand holeorbital hybridizationperovskite oxidex‐ray diffraction |
| spellingShingle | Shunsuke Kitou Masaki Gen Yuiga Nakamura Kunihisa Sugimoto Yusuke Tokunaga Shintaro Ishiwata and Taka‐hisa Arima Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3 Advanced Science electron orbital ligand hole orbital hybridization perovskite oxide x‐ray diffraction |
| title | Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3 |
| title_full | Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3 |
| title_fullStr | Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3 |
| title_full_unstemmed | Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3 |
| title_short | Real‐Space Observation of Ligand Hole State in Cubic Perovskite SrFeO3 |
| title_sort | real space observation of ligand hole state in cubic perovskite srfeo3 |
| topic | electron orbital ligand hole orbital hybridization perovskite oxide x‐ray diffraction |
| url | https://doi.org/10.1002/advs.202302839 |
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