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  Relation between the Co-O bond lengths and the spin state of Co in layered Cobaltates: a high-pressure study

Chin, Y.-Y., Lin, H.-J., Hu, Z., Kuo, C.-Y., Mikhailova, D., Lee, J.-M., et al. (2017). Relation between the Co-O bond lengths and the spin state of Co in layered Cobaltates: a high-pressure study. Scientific Reports, 7: 3656, pp. 1-9. doi:10.1038/s41598-017-03950-z.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-AE3F-2 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-AE43-5
Genre: Journal Article

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 Creators:
Chin, Yi-Ying1, Author
Lin, Hong-Ji1, Author
Hu, Zhiwei1, Author
Kuo, Chang-Yang2, Author              
Mikhailova, Daria3, Author              
Lee, Jenn-Min1, Author
Haw, Shu-Chih1, Author
Chen, Shin-An1, Author
Schnelle, Walter4, Author              
Ishii, Hirofumi1, Author
Hiraoka, Nozomu1, Author
Liao, Yen-Fa1, Author
Tsuei, Ku-Ding1, Author
Tanaka, Arata1, Author
Tjeng, Liu Hao5, Author              
Chen, Chien-Te1, Author
Chen, Jin-Ming1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
3Daria Mikhailova, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863448              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863452              

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 Abstract: The pressure-response of the Co-O bond lengths and the spin state of Co ions in a hybrid 3d-5d solid-state oxide Sr2Co0.5Ir0.5O4 with a layered K2NiF4-type structure was studied by using hard X-ray absorption and emission spectroscopies. The Co-K and the Ir-L-3 X-ray absorption spectra demonstrate that the Ir5+ and the Co3+ valence states at ambient conditions are not affected by pressure. The Co Ka emission spectra, on the other hand, revealed a gradual spin state transition of Co3+ ions from a highspin (S = 2) state at ambient pressure to a complete low-spin state (S = 0) at 40 GPa without crossing the intermediate spin state (S = 1). This can be well understood from our calculated phase diagram in which we consider the energies of the low spin, intermediate spin and high spin states of Co3+ ions as a function of the anisotropic distortion of the octahedral local coordination in the layered oxide. We infer that a short in-plane Co-O bond length (<1.90 angstrom) as well as a very large ratio of Co-O-apex/Co-Oin-plane is needed to stabilize the IS Co3+, a situation which is rarely met in reality.

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Language(s): eng - English
 Dates: 2017-06-162017-06-16
 Publication Status: Published in print
 Pages: -
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 Rev. Method: -
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Title: Scientific Reports
  Abbreviation : Sci. Rep.
Source Genre: Journal
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Publ. Info: London, UK : Nature Publishing Group
Pages: - Volume / Issue: 7 Sequence Number: 3656 Start / End Page: 1 - 9 Identifier: ISSN: 2045-2322
CoNE: /journals/resource/2045-2322