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

Maciej Ptak*, Ines E. Collings, Katrine L. Svane, Adam Sieradzki, Waldeci Paraguassu, Mirosław Maczka

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

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 P21/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 μC cm-2 at ambient pressure, increasing in magnitude to a value of 1.1 μC cm-2 at a pressure of 3 GPa before vanishing at the phase transition.
Original languageEnglish
JournalJournal of Materials Chemistry C
Volume7
Issue number28
Pages (from-to)8660-8668
ISSN2050-7526
DOIs
Publication statusPublished - 2019

Cite this

Ptak, Maciej ; Collings, Ines E. ; Svane, Katrine L. ; Sieradzki, Adam ; Paraguassu, Waldeci ; Maczka, Mirosław. / Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal-organic framework. In: Journal of Materials Chemistry C. 2019 ; Vol. 7, No. 28. pp. 8660-8668.
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title = "Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal-organic framework",
abstract = "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 P21/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 μC cm-2 at ambient pressure, increasing in magnitude to a value of 1.1 μC cm-2 at a pressure of 3 GPa before vanishing at the phase transition.",
author = "Maciej Ptak and Collings, {Ines E.} and Svane, {Katrine L.} and Adam Sieradzki and Waldeci Paraguassu and Mirosław Maczka",
year = "2019",
doi = "10.1039/c9tc01924c",
language = "English",
volume = "7",
pages = "8660--8668",
journal = "Journal of Materials Chemistry C",
issn = "2050-7526",
publisher = "R S C Publications",
number = "28",

}

Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal-organic framework. / Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Maczka, Mirosław.

In: Journal of Materials Chemistry C, Vol. 7, No. 28, 2019, p. 8660-8668.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal-organic framework

AU - Ptak, Maciej

AU - Collings, Ines E.

AU - Svane, Katrine L.

AU - Sieradzki, Adam

AU - Paraguassu, Waldeci

AU - Maczka, Mirosław

PY - 2019

Y1 - 2019

N2 - 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 P21/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 μC cm-2 at ambient pressure, increasing in magnitude to a value of 1.1 μC cm-2 at a pressure of 3 GPa before vanishing at the phase transition.

AB - 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 P21/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 μC cm-2 at ambient pressure, increasing in magnitude to a value of 1.1 μC cm-2 at a pressure of 3 GPa before vanishing at the phase transition.

U2 - 10.1039/c9tc01924c

DO - 10.1039/c9tc01924c

M3 - Journal article

VL - 7

SP - 8660

EP - 8668

JO - Journal of Materials Chemistry C

JF - Journal of Materials Chemistry C

SN - 2050-7526

IS - 28

ER -