Unexpected Synergy between Magnetic Iron Chains and Stacked B6 Rings in Nb6Fe1-xIr6+xB8

被引：22

作者：

Mbarki, Mohammed ^{[1
]}

St Touzani, Rachid ^{[1
]}

Fokwa, Boniface P. T. ^{[1
]}

机构：

[1] Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52056 Aachen, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2014年 / 53卷 / 48期

关键词：

boron rings; iron; magnetic properties; solid-state chemistry; stacking interactions; AUGMENTED-WAVE METHOD; CRYSTAL-STRUCTURE; RHODIUM BORIDES; FERROMAGNETISM; BORON; ANTIFERROMAGNETISM; TRANSITION; CLUSTERS; PLANAR; FE;

D O I：

10.1002/anie.201406397

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The synergistic combination of experiment and density functional theory has led to the discovery of the first ferromagnetic material, Nb6Fe1-xIr6+xB8, containing in its crystal structure iron chains embedded in stacked B-6 rings. The strong ferromagnetic Fe-Fe interactions found in the iron chains induce an unexpected strengthening of the B-B interactions in the B-6 rings. Beside these strong B-B interactions, strong interlayer metal-boron bonds (Ir-B and Nb-B) ensure the overall structural stability of this phase, while the magnetic Fe-Fe interactions are mainly responsible for the observed ferromagnetic ordering below T-C = 350 K.

引用

页码：13174 / 13177

页数：4

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