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 [B6] 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 TN = 240 K for Nb7Fe3B8 and TN =265 K for Ta7Fe3B8. Small remnant magnetization below 0.01 μB/f.u. is observed in the antiferromagnetic state. The bulk nature of the magnetic transitions was confirmed by the hyperfine splitting of the M\"o{\ss}bauer 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 μeff about 3.1 μB/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 ferromagnetic interactions.
@article{arxiv.1606.03123,
title = {Ternary borides Nb$_7$Fe$_3$B$_8$ and Ta$_7$Fe$_3$B$_8$ with Kagome-type iron framework},
author = {Qiang Zheng and Roman Gumeniuk and Horst Borrmann and Walter Schnelle and Alexander A. Tsirlin and Helge Rosner and Ulrich Burkhardt and Michael Reissner and Yuri Grin and Andreas Leithe-Jasper},
journal= {arXiv preprint arXiv:1606.03123},
year = {2016}
}