Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal–Organic Hybrid
| Autor: | Chao Shi, Alessandro Stroppa, Wen Zhang, Fanica Cimpoesu, Domenico Di Sante, Wen-Ping Zhao |
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| Rok vydání: | 2016 |
| Předmět: |
Phase transition
Stereochemistry Chemistry Ionic bonding 02 engineering and technology Crystal structure Coercivity 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Ferroelectricity 0104 chemical sciences Ion Inorganic Chemistry Crystallography Molecule Physical and Theoretical Chemistry 0210 nano-technology Lone pair |
| Zdroj: | Inorganic Chemistry. 55:10337-10342 |
| ISSN: | 1520-510X 0020-1669 |
| DOI: | 10.1021/acs.inorgchem.6b01545 |
| Popis: | A displacive-type mechanism, which accounts for the occurrence of ferroelectricity in most inorganic ferroelectrics, is rarely found in molecule-based ferroelectrics. Its role is often covered by the predominant order–disorder one. Herein, we report a lone-pair-electron-driven displacive-type ferroelectric organic–inorganic hybrid compound, [H2dmdap][SbCl5] (1; dmdap = N,N-dimethyl-1,3-diaminopropane). The structure of 1 features a typical zigzag chain of [SbCl5]∞ containing cis-connected anionic octahedra. The compound undergoes a second-order paraelectric–ferroelectric phase transition at 143 K (P21/c ↔ Pc) with a saturation polarization of 1.36 μC·cm–2 and a coercive field of 3.5 kV·cm–1 at 119 K. Theoretical study discloses the ferroelectricity mainly originating from the relative displacements of the Sb and Cl ions in the crystal lattice, which are driven by the 5s2 lone-pair electrons of the SbIII center. Furthermore, on the basis of analysis, possible routes are suggested to enhance ferroelectric p... |
| Databáze: | OpenAIRE |
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