Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2
Abstract The layered cobaltate CaCoO 2 exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO 2 using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-06-01
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| Series: | npj Quantum Materials |
| Online Access: | https://doi.org/10.1038/s41535-025-00778-z |
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| author | Daniel Jost Eder G. Lomeli Woo Jin Kim Emily M. Been Matteo Rossi Stefano Agrestini Ke-Jin Zhou Chunjing Jia Brian Moritz Zhi-Xun Shen Harold Y. Hwang Thomas P. Devereaux Wei-Sheng Lee |
| author_facet | Daniel Jost Eder G. Lomeli Woo Jin Kim Emily M. Been Matteo Rossi Stefano Agrestini Ke-Jin Zhou Chunjing Jia Brian Moritz Zhi-Xun Shen Harold Y. Hwang Thomas P. Devereaux Wei-Sheng Lee |
| author_sort | Daniel Jost |
| collection | DOAJ |
| description | Abstract The layered cobaltate CaCoO 2 exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO 2 using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca 4s- and Co 3d- orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO 2 may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations. |
| format | Article |
| id | doaj-art-102c0a81659b4d12afa93acd80e3ed06 |
| institution | OA Journals |
| issn | 2397-4648 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Quantum Materials |
| spelling | doaj-art-102c0a81659b4d12afa93acd80e3ed062025-08-20T02:10:35ZengNature Portfolionpj Quantum Materials2397-46482025-06-011011610.1038/s41535-025-00778-zOrbital inversion and emergent lattice dynamics in infinite layer CaCoO 2Daniel Jost0Eder G. Lomeli1Woo Jin Kim2Emily M. Been3Matteo Rossi4Stefano Agrestini5Ke-Jin Zhou6Chunjing Jia7Brian Moritz8Zhi-Xun Shen9Harold Y. Hwang10Thomas P. Devereaux11Wei-Sheng Lee12Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryDiamond Light Source, Harwell CampusDiamond Light Source, Harwell CampusStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryStanford Institute for Materials and Energy Sciences, SLAC National Accelerator LaboratoryAbstract The layered cobaltate CaCoO 2 exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO 2 using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca 4s- and Co 3d- orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO 2 may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations.https://doi.org/10.1038/s41535-025-00778-z |
| spellingShingle | Daniel Jost Eder G. Lomeli Woo Jin Kim Emily M. Been Matteo Rossi Stefano Agrestini Ke-Jin Zhou Chunjing Jia Brian Moritz Zhi-Xun Shen Harold Y. Hwang Thomas P. Devereaux Wei-Sheng Lee Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2 npj Quantum Materials |
| title | Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2 |
| title_full | Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2 |
| title_fullStr | Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2 |
| title_full_unstemmed | Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2 |
| title_short | Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2 |
| title_sort | orbital inversion and emergent lattice dynamics in infinite layer cacoo 2 |
| url | https://doi.org/10.1038/s41535-025-00778-z |
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