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  Canted Antiferromagnetism on Rectangular Layers of Fe2+ in Polymorphic CaFeSeO

Lai, K. T., Komarek, A. C., Fernández-Díaz, M. T., Chang, P.-S., Huh, S., Rosner, H., et al. (2017). Canted Antiferromagnetism on Rectangular Layers of Fe2+ in Polymorphic CaFeSeO. Inorganic Chemistry, 56(8), 4271-4279. doi:10.1021/acs.inorgchem.6b02098.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-49BE-2 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-5B0A-F
Genre: Journal Article

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 Creators:
Lai, Kwing To1, Author              
Komarek, Alexander Christoph2, Author              
Fernández-Díaz, Maria Teresa3, Author
Chang, Pi-Shan4, Author              
Huh, Sungjoon4, Author              
Rosner, Helge5, Author              
Kuo, Chang-Yang1, Author              
Hu, Zhiwei6, Author              
Pi, Tun-Wen3, Author
Adler, Peter7, Author              
Ksenofontov, Vadim3, Author
Tjeng, Liu Hao8, Author              
Valldor, Martin9, Author              
Affiliations:
1Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
2Alexander Komarek, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863446              
3External Organizations, ou_persistent22              
4Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
5Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863462              
6Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863461              
7Peter Adler, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863435              
8Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863452              
9Martin Valldor, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863454              

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 Abstract: From stoichiometric amounts of CaO, Fe, and Se, pure powders and single crystals of quaternary Ca-infinity(2)[FeSe2/2O2/2] can be obtained by solid-state reaction and self-flux growth, respectively. The as-synthesized compound exhibits a polymorphic crystal structure, where the two modifications have different stacking sequences of (2)(infinity)[FeSe2/2O2/2](2-) layers. The two polymorphs have similar unit cells but different crystal symmetries (Cmc2(1), and Pnma), of which the former is non-centrosymmetric. Fe is divalent (d(6)) and high-spin, as proven by X-ray spectroscopy, Mossbauer spectroscopy, and powder neutron diffraction data. The latter two, in combination with magnetic susceptibility and specific heat data, reveal a long-range antiferromagnetic spin order (T-N = 160 K) with a minor spin canting. CaFeSeO is an electronic insulator, as confirmed by resistivity measurements and density functional theory calculations. The latter also suggest a relatively small energy difference between the two polymorphs, explaining their intimate intergrowth.

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Language(s): eng - English
 Dates: 2017-03-272017-03-27
 Publication Status: Published in print
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Title: Inorganic Chemistry
  Abbreviation : Inorg. Chem.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 56 (8) Sequence Number: - Start / End Page: 4271 - 4279 Identifier: ISSN: 0020-1669
CoNE: /journals/resource/0020-1669