Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework

被引：298

作者：

Stroppa, A. ^{[1
]}

Barone, P. ^{[1
]}

Jain, P. ^{[2
]}

Perez-Mato, J. M. ^{[3
]}

Picozzi, S. ^{[1
]}

机构：

[1] UOS, CNR SPIN, Laquila, Italy

[2] Los Alamos Natl Lab, Los Alamos, NM 87545 USA

[3] Univ Basque Country, Fac Ciencia & Tecnol, Dept Fis Mat Condensada, Bilbao, Spain

来源：

ADVANCED MATERIALS | 2013年 / 25卷 / 16期

关键词：

metal-organic frameworks; hybrid improper ferroelectrics; multiferroics; magnetoelectrics; jahn-teller; pseudo-rotation; COORDINATION POLYMERS; WEAK FERROMAGNETISM; MAGNETIC-PROPERTIES; PHASE-TRANSITIONS; PEROVSKITE; POLARIZATION; CRYSTAL; DISTORTION; ROTATIONS; MECHANISM;

D O I：

10.1002/adma.201204738

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

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页码：2284 / 2290

页数：7

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