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首页> 外文期刊>Chemistry: A European journal >Coexistence of Three Ferroic Orders in the Multiferroic Compound [(CH3)(4)N][Mn(N-3)(3)] with Perovskite-Like Structure
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Coexistence of Three Ferroic Orders in the Multiferroic Compound [(CH3)(4)N][Mn(N-3)(3)] with Perovskite-Like Structure

机译：具有钙钛矿样结构的多铁化合物[（CH3）（4）N] [Mn（N-3）（3）]中三个铁阶的共存

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摘要

The perovskite azido compound [(CH3)(4)N] [Mn(N-3)(3)], which undergoes a first-order phase change at T-t=310 K with an associated magnetic bistability, was revisited in the search for additional ferroic orders. The driving force for such structural transition is multifold and involves a peculiar cooperative rotation of the [MnN6] octahedral as well as order/disorder and off-center shifts of the [(CH3)(4)N](+) cations and bridging azide ligands, which also bend and change their coordination mode. According to DFT calculations the latter two give rise to the appearance of electric dipoles in the low-temperature (LT) polymorph, the polarization of which nevertheless cancels out due to their antiparallel alignment in the crystal. The conversion of this antiferroelectric phase to the paraelectric phase could be responsible for the experimental dielectric anomaly detected at 310 K. Additionally, the structural change involves a ferroelastic phase transition, whereby the LT polymorph exhibits an unusual and anisotropic thermal behavior. Hence, [(CH3)(4)N] [Mn(N-3)(3)] is a singular material in which three ferroic orders coexist even above room temperature.
机译：在寻找中重新考察了钙钛矿叠氮基化合物[（CH3）（4）N] [Mn（N-3）（3）]，该化合物在Tt = 310 K处经历一阶相变并具有相关的磁性双稳性。其他铁性订单。这种结构转变的驱动力是多重的，并且涉及[MnN6]八面体的特殊协同旋转以及[（CH3）（4）N]（+）阳离子和桥联叠氮化物的有序/无序和偏心移位。配体，它们也会弯曲并改变其配位方式。根据DFT计算，后两个在低温（LT）多晶型物中引起电偶极子的出现，但由于其在晶体中的反平行排列，其极化仍被抵消。该反铁电相转换为顺电相可能是在310 K处检测到的实验电介质异常的原因。此外，结构变化涉及铁弹性相变，从而LT多晶型物表现出异常且各向异性的热行为。因此，[（CH3）（4）N] [Mn（N-3）（3）]是即使在室温以上也存在三个铁素体共存的奇异材料。

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