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Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system†
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2018-01-05 00:00:00 , DOI: 10.1039/c7tc04802e F. Mezzadri 1, 2, 3, 4, 5 , N. Mahbouli Rhouma 6, 7, 8, 9, 10 , D. Delmonte 4, 5, 11 , R. Cabassi 4, 5, 11 , M. Loukil 6, 7, 8, 9, 10 , G. Calestani 1, 2, 3, 4, 5
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2018-01-05 00:00:00 , DOI: 10.1039/c7tc04802e F. Mezzadri 1, 2, 3, 4, 5 , N. Mahbouli Rhouma 6, 7, 8, 9, 10 , D. Delmonte 4, 5, 11 , R. Cabassi 4, 5, 11 , M. Loukil 6, 7, 8, 9, 10 , G. Calestani 1, 2, 3, 4, 5
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(C8H12NO)2[ZnCl4] is an interesting ferroelectric organic–inorganic hybrid compound that shows a complex structural phase diagram, investigated in this work by X-ray diffraction and differential scanning calorimetry, characterized by an irreversible transition occurring on heating at 390 K, and coupled with successive transformations taking place on cooling in a metastable regime. The basic structural transition, leading from a monoclinic P21 to an orthorhombic P212121 symmetry and involving the doubling of the unit cell volume, is associated with an order–disorder transformation of the 4-methoxybenzylammonium cations coupled with a reorientation of tetrachloridozincate anions. During cooling, the cationic order and the monoclinic symmetry are progressively restored, but the doubling of the original cell volume is maintained by the alternate canting of adjacent cationic layers. It is noteworthy that all the polymorphs preserve the non-centric nature of the structure, but the ferroelectric behavior, characterized by high saturation polarization PS = 17 μC cm−2 and relatively low coercive field EC = 8 kV cm−1, is lost in the transition on heating and not recovered at low temperature when the original polar P21 symmetry is restored.
中文翻译：
（C 8 H 12 NO）2 [ZnCl 4 ]铁电体系中亚稳态的相平衡†
（C 8 H 12 NO）2 [ZnCl 4 ]是一种有趣的铁电有机-无机杂化化合物，具有复杂的结构相图，在这项工作中通过X射线衍射和差示扫描量热法进行了研究，其特征是在硅上发生不可逆转变。在390 K的温度下加热，并伴随着在亚稳态下冷却时发生的连续转变。从单斜晶P 2 1到正交晶P 2 1 2 1 2 1的基本结构转变对称性和单位细胞体积增加一倍，与4-甲氧基苄基铵阳离子的有序转化和四氯化锌阴离子的重新定向有关。在冷却过程中，逐渐恢复了阳离子有序性和单斜晶对称性，但是通过交替倾斜相邻的阳离子层，可以保持原始细胞体积的倍增。值得注意的是，所有的多晶型物都保留了结构的非中心性质，但是铁电行为具有高饱和极化强度P S = 17μCcm -2和相对较低的矫顽场E C = 8 kV cm -1当恢复原始的极性P 2 1对称性时，在加热的过渡过程中损失，并且在低温下不恢复。
更新日期：2018-01-05
中文翻译：
（C 8 H 12 NO）2 [ZnCl 4 ]铁电体系中亚稳态的相平衡†
（C 8 H 12 NO）2 [ZnCl 4 ]是一种有趣的铁电有机-无机杂化化合物，具有复杂的结构相图，在这项工作中通过X射线衍射和差示扫描量热法进行了研究，其特征是在硅上发生不可逆转变。在390 K的温度下加热，并伴随着在亚稳态下冷却时发生的连续转变。从单斜晶P 2 1到正交晶P 2 1 2 1 2 1的基本结构转变对称性和单位细胞体积增加一倍，与4-甲氧基苄基铵阳离子的有序转化和四氯化锌阴离子的重新定向有关。在冷却过程中，逐渐恢复了阳离子有序性和单斜晶对称性，但是通过交替倾斜相邻的阳离子层，可以保持原始细胞体积的倍增。值得注意的是，所有的多晶型物都保留了结构的非中心性质，但是铁电行为具有高饱和极化强度P S = 17μCcm -2和相对较低的矫顽场E C = 8 kV cm -1当恢复原始的极性P 2 1对称性时，在加热的过渡过程中损失，并且在低温下不恢复。
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