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  Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework

Zheng, Q., Gumeniuk, R., Borrmann, H., Schnelle, W., Tsirlin, A. A., Rosner, H., et al. (2016). Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton Transactions, 45(23), 9590-9600. doi:10.1039/c6dt01164k.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-1E7C-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-BB6F-D
Genre: Journal Article

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 Creators:
Zheng, Qiang1, Author              
Gumeniuk, Roman2, Author              
Borrmann, Horst3, Author              
Schnelle, Walter4, Author              
Tsirlin, Alexander A.5, Author
Rosner, Helge6, Author              
Burkhardt, Ulrich7, Author              
Reissner, Michael5, Author
Grin, Yuri8, Author              
Leithe-Jasper, Andreas9, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Roman Gumeniuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863421              
3Horst Borrmann, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863410              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5External Organizations, ou_persistent22              
6Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863462              
7Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
8Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              
9Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              

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 Abstract: Two new ternary borides TM7Fe3B8 (TM = Nb, Ta) were synthesized by high-temperature thermal treatment of samples obtained by arc-melting. This new type of structure with space group P6/mmm, comprises TM slabs containing isolated planar hexagonal [B-6] rings and iron centered TM columns in a Kagome type of arrangement. Chemical bonding analysis in Nb7Fe3B8 by means of the electron localizability approach reveals two-center interactions forming the Kagome net of Fe and embedded B, while weaker multicenter bonding present between this net and Nb atoms. Magnetic susceptibility measurements reveal antiferromagnetic order below T-N = 240 K for Nb7Fe3B8 and T-N = 265 K for Ta7Fe3B8. Small remnant magnetization below 0.01(mu B) per f.u. is observed in the antiferromagnetic state. The bulk nature of the magnetic transistions was confirmed by the hyperfine splitting of the Mossbauer spectra, the sizable anomalies in the specific heat capacity, and the kinks in the resistivity curves. The high-field paramagnetic susceptibilities fitted by the Curie-Weiss law show effective paramagnetic moments mu(eff) approximate to 3.1(mu B)/Fe in both compounds. The temperature dependence of the electrical resistivity also reveals metallic character of both compounds. Density functional calculations corroborate the metallic behaviour of both compounds and demonstrate the formation of a sizable local magnetic moment on the Fe-sites. They indicate the presence of both antiferro- and ferrromagnetic interactions.

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Language(s): eng - English
 Dates: 2016-05-152016-05-15
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000378583500025
DOI: 10.1039/c6dt01164k
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Title: Dalton Transactions
  Other : Dalton Trans.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 45 (23) Sequence Number: - Start / End Page: 9590 - 9600 Identifier: ISSN: 1477-9226
CoNE: /journals/resource/954925269323