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  Synthesis and Characterization of Ba[CoSO]: Magnetic Complexity in the Presence of Chalcogen Ordering

Valldor, M., Rößler, U. K., Prots, Y., Kuo, C.-Y., Chiang, J.-C., Hu, Z., et al. (2015). Synthesis and Characterization of Ba[CoSO]: Magnetic Complexity in the Presence of Chalcogen Ordering. Chemistry – A European Journal, 21(30), 10821-10828. doi:10.1002/chem.201501024.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-4FB6-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-17A9-7
Genre: Journal Article

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 Creators:
Valldor, Martin1, Author              
Rößler, Ulrich K.2, Author
Prots, Yurii3, Author              
Kuo, Chang-Yang4, Author              
Chiang, Jen-Che2, Author
Hu, Zhiwei5, Author              
Pi, Tun-Wen2, Author
Kniep, Rüdiger6, Author              
Tjeng, Liu Hao7, Author              
Affiliations:
1Martin Valldor, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863454              
2External Organizations, ou_persistent22              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
5Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863461              
6Rüdiger Kniep, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863437              
7Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863452              

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 Abstract: Barium thio-oxocobaltate(II), Ba[CoS2/2O2/2], was synthesized by the reaction of equimolar amounts of BaO, Co, and S in closed silica ampoules. The title compound (Cmcm, a=3.98808(3), b=12.75518(9), c=6.10697(4)angstrom) is isostructural to Ba[ZnSO]. The use of soft X-ray absorption spectroscopy confirmed that cobalt is in the oxidation state +2 and tetrahedrally coordinated. Its coordination consists of two sulfur and two oxygen atoms in an ordered fashion. High-temperature magnetic susceptibility data indicate strong low-dimensional spin-spin interactions, which are suggested to be closely related to the layer-type crystal structure and perhaps the ordered distribution of sulfur and oxygen. Antiferromagnetic ordering below T-N=222K is observed as an anomaly in the specific heat, coinciding with a significant lowering of the magnetic susceptibility. Density functional theory calculations within a generalized-gradient approximation (GGA)+U approach identify an antiferromagnetic ground state within the square-like two-dimensional layers of Co, and antiferromagnetic correlations for nearest and next nearest neighbors along bonds mediated by oxygen or sulfur. However, this magnetic state is subject to frustration by relatively strong interlayer couplings.

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Language(s): eng - English
 Dates: 2015-06-162015-07-20
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000357984900030
DOI: 10.1002/chem.201501024
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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Publ. Info: Weinheim, Germany : VCH Verlagsgesellschaft
Pages: - Volume / Issue: 21 (30) Sequence Number: - Start / End Page: 10821 - 10828 Identifier: ISSN: 0947-6539
CoNE: /journals/resource/954926979058