Structural‐Distortion‐Driven Magnetic Transformation from Ferro‐ to Ferrimagnetic Iron Chains in B6‐based Nb6FeIr6B8,Angewandte Chemie International Edition

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Structural‐Distortion‐Driven Magnetic Transformation from Ferro‐ to Ferrimagnetic Iron Chains in B6‐based Nb6FeIr6B8
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2018-07-13 , DOI: 10.1002/anie.201804841
Neetika Sharma ₁ , Mohammed Mbarki ₂ , Yuemei Zhang ₁ , Ashfia Huq ₃ , Boniface P. T. Fokwa ₁

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We report on a structural distortion of kinetically stable B₆‐based ferromagnetic Nb₆FeIr₆B₈ that induces an unprecedented transformation of a ferromagnetic Fe chain into two ferrimagnetic Fe chains through superstructure formation. Density functional theory calculations showed that the ferromagnetic Fe–Fe intrachain interactions found in the undistorted structure become ferrimagnetic in the distorted superstructure, mainly because the two independent iron atoms building each chain interact antiferromagnetically and carry different magnetic moments. High‐temperature SQUID magnetometry confirmed ferrimagnetic ordering at 525 K with a high and negative Weiss constant of −972 K indicating the presence of strong antiferromagnetic interactions, as predicted. This finding paves the way for the development of low‐dimensional magnetic intermetallic systems based on Heisenberg ferrimagnetic chains, which have previously been studied only in molecular‐based compounds.

中文翻译：

在基于B6的Nb6FeIr6B8中从铁磁链到亚铁磁链的结构变形驱动磁转变

我们报告了基于动力学稳定的基于B ₆的铁磁Nb ₆ FeIr ₆ B ₈的结构变形通过上层结构的形成，将铁磁性铁链前所未有地转变为两条亚铁磁性铁链。密度泛函理论计算表明，在未变形结构中发现的铁磁性Fe-Fe链内相互作用在变形的上部结构中变为亚铁磁性，这主要是因为构成每条链的两个独立铁原子反铁磁性相互作用并带有不同的磁矩。高温SQUID磁力测定法证实了在525 K处的亚铁磁性有序，其高和负Weiss常数为-972 K，表明存在强烈的反铁磁相互作用。这一发现为基于海森堡铁磁链的低维磁性金属间化合物系统的开发铺平了道路，

更新日期：2018-07-13

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