Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework
Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework
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DOI：
10.1002/adma.201204738
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发表时间：
2013-04-24
影响因子：
29.4
通讯作者：
Picozzi, S.
中科院分区：
文献类型：
--
作者：
Stroppa, A.;Barone, P.;Picozzi, S.
在第一性原理计算的基础上，我们设计了一种兼具多铁性和磁电性的新型铬基金属有机骨架。该化合物具有“双杂化”性质：既是有机-无机杂化化合物，又表现出杂化不当的铁电性。在这里，非极扭曲的耦合，如Jahn-Teller伪旋转和倾斜，为极行为铺平了道路，这种耦合是通过氢键实现的。
On the basis of first-principles calculations, we design a novel Cr-based metal-organic framework to be both multiferroic and magnetoelectric. The compound shows a "double-hybrid" nature: it is a hybrid organic-inorganic compound and it shows hybrid improper ferroelectricity. Here, the coupling of non-polar distortions, such as Jahn-Teller pseudo-rotations and tilting, pave the way to a polar behavior, with the coupling being realized through hydrogen bonds.