Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal-organic framework

被引：16

作者：

Ptak, Maciej ^{[1
]}

Collings, Ines E. ^{[2
]}

Svane, Katrine L. ^{[3
,4
]}

Sieradzki, Adam ^{[5
]}

Paraguassu, Waldeci ^{[6
]}

Maczka, Miroslaw ^{[1
]}

机构：

[1] Polish Acad Sci, Inst Low Temp & Struct Res, Wroclaw, Poland

[2] European Synchrotron Radiat Facil, Grenoble, France

[3] Univ Bath, Dept Chem, Bath, Avon, England

[4] Tech Univ Denmark, Dept Energy Convers & Storage, Lyngby, Denmark

[5] Wroclaw Univ Technol, Fac Fundamental Problems Technol, Wroclaw, Poland

[6] Fed Univ Para, Fac Phys, Belem, Para, Brazil

来源：

JOURNAL OF MATERIALS CHEMISTRY C | 2019年 / 7卷 / 28期

基金：

英国工程与自然科学研究理事会;

关键词：

PROMINENT DIELECTRIC ANOMALIES; NEGATIVE THERMAL-EXPANSION; ORDER-DISORDER TRANSITION; INDUCED PHASE-TRANSITIONS; MOLECULAR-DYNAMICS; HIGH-TEMPERATURE; LUMINESCENCE; TUNABILITY;

D O I：

10.1039/c9tc01924c

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report the high-pressure structure-related properties of a ferroelectric heterometallic formate perovskite framework templated by the ethylammonium cation (CH3CH2NH3+, EtA(+)). High-pressure X-ray diffraction studies show a first-order structural phase transition at 3.6(2) GPa from the polar Pn ambient phase to a centrosymmetric P2(1)/n high-pressure phase. A high-pressure Raman scattering experiment indicates the same transition in the 4.0-4.4 GPa range. The mechanism of the phase transition involves strong compression and distortion of the NaO6 subnetwork and a decrease in the space available for the accommodated EtA(+) cations, resulting in a change in their configuration within the pores at 3.7 GPa. Using density functional theory the value of the ferroelectric polarisation within the ac plane is calculated to be 0.9 mu C cm(-2) at ambient pressure, increasing in magnitude to a value of 1.1 mu C cm(-2) at a pressure of 3 GPa before vanishing at the phase transition.

引用

页码：8660 / 8668

页数：9

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