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First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]

机译:多铁性类钙钛矿中的一级结构转变   甲酸[(CH3)2NH2] [mn(HCOO)3]

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摘要

In this work we explore the overall structural behaviour of the[(CH3)2NH2][Mn(HCOO)3] multiferroic compound across the temperature range whereits ferroelectric transition takes place by means of calorimetry, thermalexpansion measurements and variable temperature powder and single crystal X-raydiffraction. The results clearly proof the presence of structural phasetransition at Tt ~187 K (temperature at which the dielectric transition occurs)that involves a symmetry change from R-3c to Cc, twinning of the crystals, adiscontinuous variation of the unit cell parameters and unit cell volume, and asharp first-order-like anomaly in the thermal expansion. In addition, thecalorimetric results show a 3-fold order-disorder transition. The calculatedpressure dependence of the transition temperature is rather large (dTt/dP = 4.6$\pm$ 0.1 K/kbar), so that it should be feasible to shift it to roomtemperature using adequate thermodynamic conditions, for instance byapplication of external pressure.
机译:在这项工作中,我们探索了[(CH3)2NH2] [Mn(HCOO)3]多铁化合物在其铁电转变发生的整个温度范围内的整体结构行为,该方法通过量热法,热膨胀测量以及可变温度粉末和单晶X进行。 -射线衍射。结果清楚地证明在Tt〜187 K(发生介电转变的温度)存在结构相变,涉及从R-3c到Cc的对称性变化,晶体孪晶,晶胞参数和晶胞的不连续变化体积和热膨胀中的一阶异常。另外,量热结果显示3倍有序-无序转变。所计算的转变温度的压力依赖性相当大(dTt / dP = 4.6 $ \ pm $ 0.1 K / kbar),因此在适当的热力学条件下(例如通过施加外部压力)将其转变为室温应该是可行的。

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